data_1kfp_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 1kfp _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 84.5 m . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 122.062 0.934 . . . . 0.0 112.914 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -134.45 166.62 22.44 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 104.609 -2.367 . . . . 0.0 104.609 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.1 ttm-85 -108.21 146.18 33.17 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 103.748 -2.686 . . . . 0.0 103.748 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.486 HD22 ' CE1' ' A' ' 14' ' ' TYR . 1.2 tp -140.46 152.28 45.53 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 105.091 -2.188 . . . . 0.0 105.091 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 90.9 m -125.11 139.69 53.55 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 119.476 -0.889 . . . . 0.0 108.977 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 9' ' ' GLN . 17.3 t80 -97.72 80.11 2.76 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 104.29 -2.485 . . . . 0.0 104.29 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? 25.14 25.59 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.687 0 N-CA-C 118.54 2.793 . . . . 0.0 118.54 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 7' ' ' TYR . 48.2 tt0 -175.34 -47.03 0.01 OUTLIER 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 104.668 -2.345 . . . . 0.0 104.668 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 7' ' ' TYR . 1.4 ttm180 -93.67 163.19 13.64 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 113.079 -1.873 . . . . 0.0 109.231 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 87.4 m -143.7 127.36 17.08 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 126.133 2.146 . . . . 0.0 108.402 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -141.77 -179.57 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 125.108 1.505 . . . . 0.0 110.803 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.9 m -113.18 145.36 41.09 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 114.331 -1.304 . . . . 0.0 108.289 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.486 ' CE1' HD22 ' A' ' 5' ' ' LEU . 1.3 m-85 -124.31 117.28 24.16 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 66.1 m -118.94 120.07 36.19 Favored 'General case' 0 C--N 1.298 -1.648 1 N-CA-C 99.368 -4.308 . . . . 0.0 99.368 179.445 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 . . . . . 0 C--N 1.298 -1.655 0 CA-C-O 123.246 1.498 . . . . 0.0 111.368 -179.914 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 75.3 m . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.437 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.4 OUTLIER -135.66 159.5 41.44 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 -179.721 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.437 ' N ' ' HD3' ' A' ' 3' ' ' ARG . 3.1 ttm-85 -107.42 140.08 40.92 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.507 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.6 pt? -146.53 156.59 43.36 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.905 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.544 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 77.4 m -123.33 139.83 53.64 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.435 ' HB3' ' HG2' ' A' ' 10' ' ' ARG . 70.4 t80 -92.11 71.67 5.44 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 102.497 -3.149 . . . . 0.0 102.497 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? 39.93 18.82 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -170.27 -47.65 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.435 ' HG2' ' HB3' ' A' ' 7' ' ' TYR . 10.9 ptm180 -99.53 161.14 13.79 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.544 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 93.2 m -133.09 129.66 38.28 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 124.791 1.307 . . . . 0.0 109.037 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 m -134.75 179.01 4.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 CA-C-N 112.971 -1.922 . . . . 0.0 111.978 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.0 m -121.48 139.55 53.34 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 100.887 -3.746 . . . . 0.0 100.887 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -125.72 128.6 48.02 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 101.798 -3.408 . . . . 0.0 101.798 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 84.6 m -120.72 119.35 32.54 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 102.697 -3.075 . . . . 0.0 102.697 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 . . . . . 0 C--N 1.294 -1.818 0 CA-C-N 113.737 -1.574 . . . . 0.0 109.235 179.879 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 75.0 m . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 121.877 0.846 . . . . 0.0 109.223 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.445 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.4 OUTLIER -135.56 155.52 50.35 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 113.037 -1.892 . . . . 0.0 107.036 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.445 ' N ' ' HD3' ' A' ' 3' ' ' ARG . 2.7 ttm-85 -104.76 139.57 39.35 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.477 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -139.75 164.01 31.08 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.952 -179.401 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 94.4 m -129.48 148.02 51.35 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -102.15 57.4 0.81 Allowed 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 101.797 -3.408 . . . . 0.0 101.797 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt 67.98 -47.45 0.52 Allowed 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 125.481 1.513 . . . . 0.0 114.824 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -110.54 -36.71 5.68 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-N 114.065 -1.425 . . . . 0.0 109.866 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -98.44 165.83 11.66 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 83.5 m -142.76 123.66 14.33 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 179.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 m -138.17 176.8 6.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-N 112.538 -2.119 . . . . 0.0 111.596 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.5 m -122.1 146.57 47.08 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.41 ' CE1' HD12 ' A' ' 5' ' ' LEU . 3.8 m-30 -127.57 133.98 49.73 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 104.009 -2.589 . . . . 0.0 104.009 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 76.2 m -122.06 115.61 22.8 Favored 'General case' 0 C--N 1.298 -1.655 1 N-CA-C 99.825 -4.139 . . . . 0.0 99.825 179.348 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 . . . . . 0 C--N 1.298 -1.662 0 CA-C-N 114.647 -1.161 . . . . 0.0 108.637 -179.887 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.5 m . . . . . 0 N--CA 1.484 1.247 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -133.63 171.97 13.38 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 111.47 -2.604 . . . . 0.0 107.591 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.637 ' NH2' ' SG ' ' A' ' 6' ' ' CYS . 14.9 ttp85 -106.56 146.55 30.51 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.431 HD21 ' CD2' ' A' ' 14' ' ' TYR . 0.2 OUTLIER -138.54 159.81 41.14 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 107.175 -1.416 . . . . 0.0 107.175 -179.583 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.637 ' SG ' ' NH2' ' A' ' 4' ' ' ARG . 97.5 m -131.84 131.95 43.27 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 105.628 -1.99 . . . . 0.0 105.628 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.443 ' HB3' ' HG2' ' A' ' 10' ' ' ARG . 67.8 t80 -90.98 71.73 6.43 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? 41.03 11.24 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 7' ' ' TYR . 54.8 tt0 -158.35 -51.97 0.07 Allowed 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.443 ' HG2' ' HB3' ' A' ' 7' ' ' TYR . 5.5 ptt180 -100.74 166.99 10.6 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 113.775 -1.557 . . . . 0.0 110.27 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.562 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 92.8 m -133.78 136.36 44.48 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 124.849 1.343 . . . . 0.0 107.58 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.73 -177.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 CA-C-N 113.425 -1.716 . . . . 0.0 108.04 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -115.32 148.05 39.71 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 106.109 -1.812 . . . . 0.0 106.109 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.431 ' CD2' HD21 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -131.31 127.39 37.6 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 102.464 -3.162 . . . . 0.0 102.464 179.575 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.1 m -119.1 113.63 21.22 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 102.571 -3.122 . . . . 0.0 102.571 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 123.137 1.446 . . . . 0.0 108.457 179.877 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 81.5 m . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 122.315 1.055 . . . . 0.0 111.387 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.71 158.2 40.04 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 112.31 -2.223 . . . . 0.0 105.645 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.83 137.66 48.2 Favored 'General case' 0 N--CA 1.506 2.361 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.585 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.555 HD21 ' CD1' ' A' ' 14' ' ' TYR . 1.0 OUTLIER -137.15 170.03 16.79 Favored 'General case' 0 N--CA 1.502 2.144 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.417 -179.787 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.593 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 90.0 m -129.75 142.14 50.75 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 9' ' ' GLN . 41.9 t80 -97.35 74.17 2.47 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 103.842 -2.651 . . . . 0.0 103.842 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? 36.87 13.98 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 117.862 2.542 . . . . 0.0 117.862 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' TYR . 2.3 mt-30 -157.07 -53.73 0.08 Allowed 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -104.91 175.58 5.44 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.792 -179.521 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.593 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 72.2 m -133.36 137.48 45.9 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 125.723 1.889 . . . . 0.0 111.584 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.446 HG23 ' HG ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -140.83 169.39 15.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 CA-C-N 113.452 -1.704 . . . . 0.0 111.691 -179.557 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.6 m -110.51 141.37 43.75 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 103.949 -2.611 . . . . 0.0 103.949 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.555 ' CD1' HD21 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -127.98 123.38 34.65 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 102.063 -3.31 . . . . 0.0 102.063 179.592 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 90.5 m -118.58 120.54 37.79 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 103.257 -2.868 . . . . 0.0 103.257 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 . . . . . 0 C--N 1.292 -1.916 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 179.76 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 59.1 m . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 122.04 0.924 . . . . 0.0 113.054 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.47 171.92 16.29 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -101.37 141.38 34.32 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.464 HD23 ' CE1' ' A' ' 14' ' ' TYR . 16.4 tp -133.22 158.47 42.8 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 104.122 -2.548 . . . . 0.0 104.122 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 87.0 m -130.83 143.8 50.99 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 119.21 0.914 . . . . 0.0 112.302 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 9' ' ' GLN . 9.7 t80 -101.91 78.32 1.79 Allowed 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt 18.68 34.98 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.32 0 N-CA-C 118.69 2.848 . . . . 0.0 118.69 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.9 OUTLIER 178.04 -40.1 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.185 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -103.07 162.88 12.58 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 110.601 -3.0 . . . . 0.0 108.712 179.831 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 63.7 m -144.61 133.01 21.91 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 126.664 2.477 . . . . 0.0 106.199 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -146.43 178.18 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 O-C-N 124.845 1.341 . . . . 0.0 108.944 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.7 m -103.82 149.15 25.31 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.464 ' CE1' HD23 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -128.42 128.71 44.96 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 104.698 -2.334 . . . . 0.0 104.698 179.714 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 61.6 m -120.21 112.89 19.63 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 124.812 1.32 . . . . 0.0 110.836 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 . . . . . 0 C--N 1.292 -1.917 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 179.375 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 75.2 m . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.0 171.57 14.24 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -105.01 146.98 28.3 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 104.646 -2.353 . . . . 0.0 104.646 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.431 HD21 ' CD1' ' A' ' 14' ' ' TYR . 6.8 tp -142.06 161.39 38.11 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 103.627 -2.731 . . . . 0.0 103.627 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.567 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 93.5 m -132.6 146.97 52.31 Favored 'General case' 0 N--CA 1.5 2.063 0 CA-C-N 119.849 1.204 . . . . 0.0 113.836 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' GLN . 33.0 t80 -102.98 79.24 1.74 Allowed 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt 16.41 40.52 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.412 0 N-CA-C 118.998 2.962 . . . . 0.0 118.998 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 7' ' ' TYR . 50.8 tt0 172.19 -39.32 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.2 0 N-CA-C 104.724 -2.325 . . . . 0.0 104.724 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -107.52 166.57 10.57 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 112.973 -1.921 . . . . 0.0 109.035 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.567 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 58.2 m -140.5 135.85 32.34 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 179.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.42 179.3 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 125.06 1.475 . . . . 0.0 107.745 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.8 m -110.81 149.83 30.0 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.431 ' CD1' HD21 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -135.43 121.2 19.64 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 104.135 -2.543 . . . . 0.0 104.135 179.595 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 97.9 m -114.16 135.49 53.98 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 101.728 -3.434 . . . . 0.0 101.728 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 . . . . . 0 C--N 1.285 -2.222 0 CA-C-N 112.916 -1.947 . . . . 0.0 107.877 179.697 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 78.2 m . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 122.15 0.976 . . . . 0.0 111.807 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.77 164.64 29.65 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 103.763 -2.68 . . . . 0.0 103.763 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 12' ' ' VAL . 24.0 ttm-85 -110.82 145.24 38.54 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 119.23 -0.988 . . . . 0.0 108.484 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.475 HD21 ' CE1' ' A' ' 14' ' ' TYR . 0.2 OUTLIER -141.35 150.67 42.75 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 93.1 m -120.56 148.3 44.05 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 9' ' ' GLN . 1.1 t80 -99.05 62.9 1.31 Allowed 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 102.98 -2.97 . . . . 0.0 102.98 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? 39.54 9.77 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 117.145 2.276 . . . . 0.0 117.145 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 7' ' ' TYR . 41.2 tt0 -144.81 -52.84 0.3 Allowed 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 105.82 -1.919 . . . . 0.0 105.82 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.498 ' CZ ' HG13 ' A' ' 12' ' ' VAL . 7.3 ptm180 -109.02 177.82 4.65 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 113.018 -1.901 . . . . 0.0 111.15 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 78.1 m -137.63 145.94 43.33 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 125.63 1.831 . . . . 0.0 110.314 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.498 HG13 ' CZ ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -142.09 177.48 3.1 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 O-C-N 126.234 2.209 . . . . 0.0 107.832 179.758 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.3 m -118.37 145.08 45.43 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 104.597 -2.371 . . . . 0.0 104.597 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.475 ' CE1' HD21 ' A' ' 5' ' ' LEU . 1.1 m-85 -125.16 127.09 46.29 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 101.881 -3.378 . . . . 0.0 101.881 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 73.3 m -125.32 105.69 9.29 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 104.972 -2.232 . . . . 0.0 104.972 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 . . . . . 0 N--CA 1.485 1.325 0 C-N-CA 117.172 -1.811 . . . . 0.0 108.628 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 79.1 m . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 123.602 1.668 . . . . 0.0 112.154 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.8 ptm85 -132.12 168.54 17.82 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 111.022 -2.808 . . . . 0.0 109.074 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -112.02 156.5 22.07 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.491 ' N ' HD22 ' A' ' 5' ' ' LEU . 2.1 pt? -154.48 162.74 40.99 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 124.325 1.015 . . . . 0.0 108.311 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 97.2 m -129.68 139.17 51.45 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.424 ' N ' ' O ' ' A' ' 10' ' ' ARG . 45.2 t80 -97.21 71.48 2.4 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 116.96 -1.896 . . . . 0.0 107.905 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt 43.29 14.57 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.15 0 CA-C-N 110.663 -2.972 . . . . 0.0 115.665 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -161.58 -55.49 0.05 OUTLIER 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 105.915 -1.883 . . . . 0.0 105.915 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -99.34 174.42 6.3 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 113.902 -1.499 . . . . 0.0 111.817 -179.355 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 82.3 m -135.81 138.62 42.75 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 125.568 1.792 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.414 HG22 ' HG ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -143.64 179.45 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 125.124 1.515 . . . . 0.0 109.368 -179.548 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.1 m -118.73 148.54 42.68 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 105.094 -2.188 . . . . 0.0 105.094 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -130.24 126.77 38.14 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 102.597 -3.112 . . . . 0.0 102.597 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 59.3 m -120.18 111.22 17.56 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 101.67 -3.455 . . . . 0.0 101.67 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 . . . . . 0 C--N 1.303 -1.422 0 C-N-CA 116.617 -2.033 . . . . 0.0 106.796 179.808 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 77.5 m . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 122.695 1.235 . . . . 0.0 111.374 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.412 ' C ' ' HD3' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -135.25 170.22 16.26 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 112.515 -2.13 . . . . 0.0 109.238 -179.716 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -109.08 153.95 22.96 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.477 HD23 ' CE1' ' A' ' 14' ' ' TYR . 2.0 tp -146.44 150.84 36.39 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 88.4 m -125.3 142.07 51.71 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 9' ' ' GLN . 24.5 t80 -101.3 65.28 1.05 Allowed 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 118.1 -1.44 . . . . 0.0 109.044 -179.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? 38.68 12.85 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.325 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 7' ' ' TYR . 14.6 mm-40 -149.59 -51.83 0.15 Allowed 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 7' ' ' TYR . 2.2 ptt180 -113.38 177.3 4.68 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.862 -1.063 . . . . 0.0 112.871 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 87.6 m -139.14 133.0 30.88 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 125.946 2.029 . . . . 0.0 107.404 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.85 177.85 2.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 125.368 1.667 . . . . 0.0 108.365 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.7 m -112.14 155.41 23.95 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.891 -1.049 . . . . 0.0 108.547 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.477 ' CE1' HD23 ' A' ' 5' ' ' LEU . 2.2 m-85 -136.86 127.55 27.11 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 104.176 -2.527 . . . . 0.0 104.176 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 91.8 m -123.69 125.08 44.14 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 102.824 -3.028 . . . . 0.0 102.824 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 . . . . . 0 C--N 1.292 -1.899 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 179.449 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.2 m . . . . . 0 N--CA 1.485 1.318 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.98 158.58 43.47 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 113.173 -1.831 . . . . 0.0 107.015 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -105.09 155.79 18.68 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.548 HD21 ' N ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -160.85 166.71 28.07 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.68 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.55 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 73.2 m -132.22 145.84 51.6 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.431 ' CE1' ' CE ' ' A' ' 8' ' ' LYS . 44.4 t80 -108.06 87.89 2.6 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 103.358 -2.83 . . . . 0.0 103.358 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.431 ' CE ' ' CE1' ' A' ' 7' ' ' TYR . 22.0 mtmt 21.99 73.76 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.948 0 O-C-N 126.141 2.151 . . . . 0.0 112.266 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 129.05 -55.12 0.01 OUTLIER 'General case' 0 N--CA 1.517 2.879 0 O-C-N 126.953 2.658 . . . . 0.0 112.5 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 7' ' ' TYR . 2.8 ptm180 -92.83 156.28 17.09 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.054 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.55 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 87.6 m -128.2 131.37 48.86 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 m -135.73 -177.21 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 CA-C-N 112.5 -2.136 . . . . 0.0 111.832 -179.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.5 m -127.06 144.55 51.0 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 103.758 -2.682 . . . . 0.0 103.758 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.451 ' CD1' HD22 ' A' ' 5' ' ' LEU . 2.0 m-85 -130.2 128.73 42.28 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 102.929 -2.989 . . . . 0.0 102.929 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 93.3 m -124.13 133.35 53.61 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 102.852 -3.018 . . . . 0.0 102.852 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.284 -2.265 0 CA-C-N 112.408 -2.178 . . . . 0.0 109.081 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.4 m . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 122.991 1.377 . . . . 0.0 114.441 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.09 159.22 40.72 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 112.157 -2.292 . . . . 0.0 105.057 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 ttt85 -111.11 141.46 44.58 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.401 HD22 ' N ' ' A' ' 5' ' ' LEU . 2.5 pt? -146.35 171.54 14.85 Favored 'General case' 0 N--CA 1.503 2.204 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.577 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 84.4 m -132.79 154.66 50.05 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.402 -1.332 . . . . 0.0 107.402 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -106.78 61.76 0.63 Allowed 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt 30.43 42.75 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.611 0 CA-C-N 113.535 -1.666 . . . . 0.0 113.962 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -176.64 -64.12 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 110.09 -3.232 . . . . 0.0 107.026 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -102.82 172.48 6.81 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.098 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.577 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 90.6 m -132.35 135.71 46.35 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 m -137.5 178.03 5.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 CA-C-N 112.886 -1.961 . . . . 0.0 111.623 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.5 m -119.25 140.53 50.09 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 101.245 -3.613 . . . . 0.0 101.245 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -127.4 124.61 38.92 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 103.416 -2.809 . . . . 0.0 103.416 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.5 m -121.49 121.1 36.76 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 100.699 -3.815 . . . . 0.0 100.699 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.5 ttm-85 . . . . . 0 C--N 1.295 -1.792 0 C-N-CA 118.242 -1.383 . . . . 0.0 107.553 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 82.5 m . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 121.801 0.81 . . . . 0.0 112.969 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.34 159.23 42.64 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 113.127 -1.851 . . . . 0.0 106.282 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -107.75 143.49 36.21 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.469 HD23 ' CD1' ' A' ' 14' ' ' TYR . 2.2 pt? -143.04 170.2 16.16 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 124.591 1.182 . . . . 0.0 109.557 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 83.1 m -134.82 145.89 48.78 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 10' ' ' ARG . 50.8 t80 -101.06 74.47 1.6 Allowed 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt 41.81 23.62 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 CA-C-N 110.941 -2.845 . . . . 0.0 114.994 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -173.77 -50.62 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 122.362 1.077 . . . . 0.0 109.813 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 7' ' ' TYR . 3.7 ptm180 -101.61 162.64 12.76 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.411 -1.268 . . . . 0.0 109.025 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 97.5 m -127.5 137.24 52.6 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 124.808 1.317 . . . . 0.0 109.423 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.99 -179.77 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-N 113.46 -1.7 . . . . 0.0 111.253 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.9 m -118.98 144.14 46.65 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 112.164 -2.289 . . . . 0.0 105.792 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.469 ' CD1' HD23 ' A' ' 5' ' ' LEU . 1.1 m-85 -129.49 130.1 45.4 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 102.283 -3.228 . . . . 0.0 102.283 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 84.5 m -123.27 118.76 28.31 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 103.964 -2.606 . . . . 0.0 103.964 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? . . . . . 0 C--N 1.298 -1.655 0 N-CA-C 105.087 -2.19 . . . . 0.0 105.087 179.651 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 64.5 m . . . . . 0 N--CA 1.483 1.177 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -129.85 163.11 27.02 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 105.344 -2.095 . . . . 0.0 105.344 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -110.53 139.75 45.47 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 102.091 -3.3 . . . . 0.0 102.091 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.8 tp -137.43 161.08 37.3 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 83.1 m -130.44 142.49 50.5 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-N 118.824 0.738 . . . . 0.0 110.566 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -105.33 83.01 1.9 Allowed 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 101.612 -3.477 . . . . 0.0 101.612 -179.707 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt 0.72 76.88 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 O-C-N 126.859 2.6 . . . . 0.0 112.886 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 148.62 -46.87 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.224 0 O-C-N 128.023 3.327 . . . . 0.0 106.025 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 7' ' ' TYR . 9.6 ptp180 -117.66 169.75 9.32 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 91.2 m -137.14 136.59 38.39 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 125.215 1.572 . . . . 0.0 108.615 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.08 176.59 3.15 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 O-C-N 125.216 1.573 . . . . 0.0 110.048 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.5 m -114.75 148.44 38.35 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -124.72 111.67 15.84 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 112.053 -2.339 . . . . 0.0 110.107 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 87.5 m -114.13 123.54 49.87 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 103.368 -2.827 . . . . 0.0 103.368 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 . . . . . 0 C--N 1.292 -1.933 0 CA-C-N 113.416 -1.72 . . . . 0.0 107.887 179.645 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 83.8 m . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 121.832 0.825 . . . . 0.0 111.503 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.16 160.52 39.61 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 104.201 -2.518 . . . . 0.0 104.201 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -110.9 148.62 32.08 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.282 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.509 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.3 pt? -149.02 169.58 20.31 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 113.894 -1.503 . . . . 0.0 108.284 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 98.1 m -132.05 142.39 49.53 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 104.233 -2.506 . . . . 0.0 104.233 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.434 ' C ' ' H ' ' A' ' 9' ' ' GLN . 67.3 t80 -99.32 78.26 2.2 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 102.455 -3.165 . . . . 0.0 102.455 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? 37.66 7.58 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 110.652 -2.976 . . . . 0.0 118.415 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.434 ' H ' ' C ' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -157.3 -45.98 0.07 Allowed 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -102.11 165.52 11.11 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.362 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 89.8 m -129.25 132.11 47.15 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 125.061 1.476 . . . . 0.0 108.925 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 m -137.67 176.41 7.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 CA-C-N 113.69 -1.596 . . . . 0.0 111.656 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.3 m -117.03 143.15 46.07 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 111.438 -2.619 . . . . 0.0 104.738 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.495 ' CD1' HD21 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -129.14 131.14 47.16 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 102.42 -3.178 . . . . 0.0 102.42 179.542 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 91.6 m -125.37 121.65 34.53 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 . . . . . 0 C--N 1.291 -1.96 0 N-CA-C 103.555 -2.758 . . . . 0.0 103.555 179.343 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 94.4 m . . . . . 0 N--CA 1.473 0.681 0 CA-C-O 122.507 1.146 . . . . 0.0 108.565 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.54 168.19 20.38 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 113.029 -1.896 . . . . 0.0 105.978 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -101.86 141.83 34.1 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.451 HD22 ' CE1' ' A' ' 14' ' ' TYR . 8.7 tp -137.33 160.46 39.01 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 73.9 m -130.73 161.78 30.92 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.465 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -127.71 101.36 6.35 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 104.26 -2.496 . . . . 0.0 104.26 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt 68.1 -67.66 0.19 Allowed 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -141.49 -10.28 0.94 Allowed 'General case' 0 C--N 1.294 -1.836 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.644 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 12.5 ptm180 -96.85 159.14 15.09 Favored 'General case' 0 C--O 1.203 -1.377 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 90.6 m -134.94 141.44 46.28 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 124.524 1.14 . . . . 0.0 109.851 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.62 177.82 2.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 125.84 1.962 . . . . 0.0 109.727 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.5 m -111.44 145.11 39.56 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.451 ' CE1' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -124.65 123.7 40.62 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 103.164 -2.902 . . . . 0.0 103.164 179.665 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.4 m -125.27 118.32 25.73 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 102.849 -3.019 . . . . 0.0 102.849 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 . . . . . 0 N--CA 1.503 2.204 0 C-N-CA 118.263 -1.375 . . . . 0.0 111.031 179.432 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 61.8 m . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 122.159 0.98 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.91 164.78 26.82 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 105.087 -2.19 . . . . 0.0 105.087 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 12' ' ' VAL . 32.4 ttm180 -119.72 145.75 46.25 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 119.669 -0.813 . . . . 0.0 110.718 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.406 HD23 ' CG ' ' A' ' 14' ' ' TYR . 0.7 OUTLIER -142.91 171.66 13.76 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 125.197 1.561 . . . . 0.0 108.364 -179.749 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.576 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 97.4 m -129.12 143.87 51.01 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.448 -0.901 . . . . 0.0 111.794 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' ARG . 24.5 t80 -98.9 81.1 2.58 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt 17.5 44.73 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.365 0 O-C-N 126.302 2.251 . . . . 0.0 115.807 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' TYR . 37.7 tt0 170.55 -53.06 0.01 OUTLIER 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 112.463 -2.153 . . . . 0.0 105.958 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -100.05 170.18 8.67 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.599 -179.696 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.576 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 68.7 m -133.2 130.88 39.68 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 105.24 -2.133 . . . . 0.0 105.24 179.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.424 ' O ' ' HG3' ' A' ' 4' ' ' ARG . 1.1 m -137.74 161.43 33.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 CA-C-N 113.348 -1.751 . . . . 0.0 111.65 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.9 m -107.02 146.1 31.53 Favored 'General case' 0 C--N 1.288 -2.094 0 CA-C-N 111.542 -2.572 . . . . 0.0 104.426 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.406 ' CG ' HD23 ' A' ' 5' ' ' LEU . 1.6 m-85 -131.99 135.15 46.34 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 105.005 -2.221 . . . . 0.0 105.005 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 4.6 t -125.03 112.45 16.56 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 101.834 -3.395 . . . . 0.0 101.834 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 . . . . . 0 N--CA 1.509 2.511 0 CA-C-O 123.691 1.71 . . . . 0.0 109.69 -179.883 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 76.3 m . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 122.258 1.028 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.95 162.0 34.48 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 105.731 -1.951 . . . . 0.0 105.731 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 5' ' ' LEU . 27.9 ttm180 -111.86 149.25 32.08 Favored 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.45 ' N ' HD22 ' A' ' 5' ' ' LEU . 2.2 pt? -147.55 163.09 37.65 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.592 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 95.4 m -127.75 137.57 52.48 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 117.669 -1.613 . . . . 0.0 109.693 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 9' ' ' GLN . 41.3 t80 -89.31 74.88 7.81 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? 35.11 13.92 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.364 0 N-CA-C 117.298 2.333 . . . . 0.0 117.298 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -168.38 -47.53 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -90.94 165.53 13.52 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 111.193 -2.73 . . . . 0.0 108.759 -179.869 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.592 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 86.8 m -137.65 133.54 34.41 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 126.4 2.312 . . . . 0.0 105.65 179.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.438 HG23 ' CD2' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -137.93 179.22 3.61 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 125.57 1.794 . . . . 0.0 109.947 -179.482 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.3 m -121.72 147.27 46.12 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 105.178 -2.156 . . . . 0.0 105.178 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.44 ' CD1' HD23 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -128.14 120.53 27.53 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 103.329 -2.841 . . . . 0.0 103.329 179.718 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 77.4 m -119.53 118.52 31.28 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 101.958 -3.349 . . . . 0.0 101.958 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 . . . . . 0 C--N 1.301 -1.534 0 CA-C-O 122.777 1.275 . . . . 0.0 108.975 179.74 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 81.6 m . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 121.736 0.779 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.07 167.59 21.76 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 113.506 -1.679 . . . . 0.0 108.575 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.3 ttt-85 -105.31 142.03 35.79 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.432 ' N ' HD23 ' A' ' 5' ' ' LEU . 2.4 pt? -144.79 166.48 25.1 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.568 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 71.7 m -130.55 151.28 51.19 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 119.722 -0.791 . . . . 0.0 108.95 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.407 ' HB3' ' HG2' ' A' ' 10' ' ' ARG . 3.8 t80 -97.38 62.09 1.72 Allowed 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 102.522 -3.14 . . . . 0.0 102.522 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? 32.04 51.03 0.18 Allowed 'General case' 0 N--CA 1.503 2.217 0 CA-C-N 113.815 -1.539 . . . . 0.0 112.868 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? 169.81 -62.55 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 CA-C-N 111.415 -2.63 . . . . 0.0 107.727 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.407 ' HG2' ' HB3' ' A' ' 7' ' ' TYR . 14.4 ptt85 -99.95 167.31 10.58 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.16 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.568 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 76.5 m -132.18 137.97 47.83 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 124.157 0.911 . . . . 0.0 112.809 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.405 HG23 ' CD2' ' A' ' 5' ' ' LEU . 1.2 m -136.71 -175.76 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 C-N-CA 126.591 1.956 . . . . 0.0 112.649 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.1 m -126.39 145.67 50.37 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 113.196 -1.82 . . . . 0.0 106.108 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.465 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 1.0 OUTLIER -127.03 132.1 50.81 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 104.802 -2.295 . . . . 0.0 104.802 179.701 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 32.9 m -120.21 97.27 5.51 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 125.085 1.49 . . . . 0.0 108.323 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 125.324 2.488 . . . . 0.0 105.699 -179.899 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 71.6 m . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -142.88 158.76 43.3 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 105.1 -2.185 . . . . 0.0 105.1 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.428 ' HG2' ' N ' ' A' ' 5' ' ' LEU . 8.8 ttm180 -102.71 150.74 23.16 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 105.345 -2.094 . . . . 0.0 105.345 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.528 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.1 pt? -151.56 166.79 30.1 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 113.473 -1.694 . . . . 0.0 108.444 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.562 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 72.3 m -130.04 147.02 51.74 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.71 95.24 5.43 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt 69.25 -62.22 0.41 Allowed 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 113.481 -1.69 . . . . 0.0 111.534 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -137.74 -11.68 1.55 Allowed 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -101.87 159.25 15.5 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.562 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 84.0 m -126.53 135.73 51.67 Favored 'General case' 0 C--N 1.291 -1.939 0 O-C-N 124.332 1.02 . . . . 0.0 108.872 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -136.34 -179.78 3.28 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 CA-C-N 112.121 -2.309 . . . . 0.0 111.298 -179.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.2 m -124.14 144.52 49.85 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 112.985 -1.916 . . . . 0.0 107.429 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.444 ' CD1' HD21 ' A' ' 5' ' ' LEU . 1.7 m-85 -128.87 133.01 47.78 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 103.068 -2.938 . . . . 0.0 103.068 179.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 67.5 m -125.26 116.86 22.63 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 101.379 -3.563 . . . . 0.0 101.379 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 . . . . . 0 C--N 1.295 -1.784 0 CA-C-O 122.918 1.342 . . . . 0.0 109.061 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.737 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 84.5 m -102.24 128.1 48.91 Favored 'General case' 0 C--N 1.286 -2.155 0 CA-C-N 111.625 -2.534 . . . . 0.0 112.914 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -134.45 166.62 22.44 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 104.609 -2.367 . . . . 0.0 104.609 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.1 ttm-85 -108.21 146.18 33.17 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 103.748 -2.686 . . . . 0.0 103.748 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.486 HD22 ' CE1' ' A' ' 14' ' ' TYR . 1.2 tp -140.46 152.28 45.53 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 105.091 -2.188 . . . . 0.0 105.091 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 90.9 m -125.11 139.69 53.55 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 119.476 -0.889 . . . . 0.0 108.977 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 9' ' ' GLN . 17.3 t80 -97.72 80.11 2.76 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 104.29 -2.485 . . . . 0.0 104.29 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? 25.14 25.59 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.687 0 N-CA-C 118.54 2.793 . . . . 0.0 118.54 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 7' ' ' TYR . 48.2 tt0 -175.34 -47.03 0.01 OUTLIER 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 104.668 -2.345 . . . . 0.0 104.668 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 7' ' ' TYR . 1.4 ttm180 -93.67 163.19 13.64 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 113.079 -1.873 . . . . 0.0 109.231 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 87.4 m -143.7 127.36 17.08 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 126.133 2.146 . . . . 0.0 108.402 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -141.77 -179.57 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 125.108 1.505 . . . . 0.0 110.803 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.9 m -113.18 145.36 41.09 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 114.331 -1.304 . . . . 0.0 108.289 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.486 ' CE1' HD22 ' A' ' 5' ' ' LEU . 1.3 m-85 -124.31 117.28 24.16 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 66.1 m -118.94 120.07 36.19 Favored 'General case' 0 C--N 1.298 -1.648 1 N-CA-C 99.368 -4.308 . . . . 0.0 99.368 179.445 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -90.62 154.01 19.9 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 123.246 1.498 . . . . 0.0 111.368 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 121.82 171.34 14.02 Favored Glycine 0 N--CA 1.496 2.667 0 CA-C-N 111.866 -2.425 . . . . 0.0 107.282 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -134.03 156.79 47.58 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.661 0 O-C-N 118.876 -2.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . 0.253 . . . . . . . 0 CA--C 1.505 -0.762 0 CA-C-O 123.047 1.403 . . . . 0.0 107.579 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 75.3 m -104.76 131.89 51.66 Favored 'General case' 0 C--N 1.285 -2.197 0 CA-C-N 110.337 -3.12 . . . . 0.0 108.605 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.437 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.4 OUTLIER -135.66 159.5 41.44 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 -179.721 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.437 ' N ' ' HD3' ' A' ' 3' ' ' ARG . 3.1 ttm-85 -107.42 140.08 40.92 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.507 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.6 pt? -146.53 156.59 43.36 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.905 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.544 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 77.4 m -123.33 139.83 53.64 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.435 ' HB3' ' HG2' ' A' ' 10' ' ' ARG . 70.4 t80 -92.11 71.67 5.44 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 102.497 -3.149 . . . . 0.0 102.497 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? 39.93 18.82 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -170.27 -47.65 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.435 ' HG2' ' HB3' ' A' ' 7' ' ' TYR . 10.9 ptm180 -99.53 161.14 13.79 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.544 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 93.2 m -133.09 129.66 38.28 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 124.791 1.307 . . . . 0.0 109.037 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 m -134.75 179.01 4.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 CA-C-N 112.971 -1.922 . . . . 0.0 111.978 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.0 m -121.48 139.55 53.34 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 100.887 -3.746 . . . . 0.0 100.887 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -125.72 128.6 48.02 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 101.798 -3.408 . . . . 0.0 101.798 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 84.6 m -120.72 119.35 32.54 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 102.697 -3.075 . . . . 0.0 102.697 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -66.74 157.31 33.09 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-N 113.737 -1.574 . . . . 0.0 109.235 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.0 -95.42 0.35 Allowed Glycine 0 N--CA 1.501 3.027 0 CA-C-N 114.447 -1.251 . . . . 0.0 114.01 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.6 -24.28 10.19 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.71 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.473 0 O-C-N 119.437 -2.039 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.63 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 75.0 m -103.22 130.75 50.52 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 111.712 -2.494 . . . . 0.0 109.223 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.445 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.4 OUTLIER -135.56 155.52 50.35 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 113.037 -1.892 . . . . 0.0 107.036 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.445 ' N ' ' HD3' ' A' ' 3' ' ' ARG . 2.7 ttm-85 -104.76 139.57 39.35 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.477 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -139.75 164.01 31.08 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.952 -179.401 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 94.4 m -129.48 148.02 51.35 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -102.15 57.4 0.81 Allowed 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 101.797 -3.408 . . . . 0.0 101.797 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt 67.98 -47.45 0.52 Allowed 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 125.481 1.513 . . . . 0.0 114.824 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -110.54 -36.71 5.68 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-N 114.065 -1.425 . . . . 0.0 109.866 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -98.44 165.83 11.66 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 83.5 m -142.76 123.66 14.33 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 179.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 m -138.17 176.8 6.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-N 112.538 -2.119 . . . . 0.0 111.596 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.5 m -122.1 146.57 47.08 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.41 ' CE1' HD12 ' A' ' 5' ' ' LEU . 3.8 m-30 -127.57 133.98 49.73 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 104.009 -2.589 . . . . 0.0 104.009 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 76.2 m -122.06 115.61 22.8 Favored 'General case' 0 C--N 1.298 -1.655 1 N-CA-C 99.825 -4.139 . . . . 0.0 99.825 179.348 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -61.18 154.59 22.91 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 114.647 -1.161 . . . . 0.0 108.637 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.72 -70.82 0.47 Allowed Glycine 0 N--CA 1.5 2.951 0 N-CA-C 117.882 1.913 . . . . 0.0 117.882 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -123.17 -35.22 3.02 Favored 'General case' 0 N--CA 1.501 2.116 0 CA-C-N 118.045 0.923 . . . . 0.0 113.348 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.581 0 O-C-N 119.006 -2.309 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.638 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.5 m -95.54 118.09 31.61 Favored 'General case' 0 C--N 1.291 -1.955 0 CA-C-N 111.365 -2.652 . . . . 0.0 116.19 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -133.63 171.97 13.38 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 111.47 -2.604 . . . . 0.0 107.591 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.637 ' NH2' ' SG ' ' A' ' 6' ' ' CYS . 14.9 ttp85 -106.56 146.55 30.51 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.431 HD21 ' CD2' ' A' ' 14' ' ' TYR . 0.2 OUTLIER -138.54 159.81 41.14 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 107.175 -1.416 . . . . 0.0 107.175 -179.583 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.637 ' SG ' ' NH2' ' A' ' 4' ' ' ARG . 97.5 m -131.84 131.95 43.27 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 105.628 -1.99 . . . . 0.0 105.628 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.443 ' HB3' ' HG2' ' A' ' 10' ' ' ARG . 67.8 t80 -90.98 71.73 6.43 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? 41.03 11.24 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 7' ' ' TYR . 54.8 tt0 -158.35 -51.97 0.07 Allowed 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.443 ' HG2' ' HB3' ' A' ' 7' ' ' TYR . 5.5 ptt180 -100.74 166.99 10.6 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 113.775 -1.557 . . . . 0.0 110.27 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.562 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 92.8 m -133.78 136.36 44.48 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 124.849 1.343 . . . . 0.0 107.58 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.73 -177.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 CA-C-N 113.425 -1.716 . . . . 0.0 108.04 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -115.32 148.05 39.71 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 106.109 -1.812 . . . . 0.0 106.109 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.431 ' CD2' HD21 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -131.31 127.39 37.6 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 102.464 -3.162 . . . . 0.0 102.464 179.575 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.1 m -119.1 113.63 21.22 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 102.571 -3.122 . . . . 0.0 102.571 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -89.38 138.81 31.11 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 123.137 1.446 . . . . 0.0 108.457 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 133.75 -175.12 20.46 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 104.24 -3.544 . . . . 0.0 104.24 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.55 61.05 0.79 Allowed 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.683 0 O-C-N 118.542 -2.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.701 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 81.5 m -102.6 124.95 49.08 Favored 'General case' 0 C--N 1.285 -2.205 0 CA-C-N 111.936 -2.393 . . . . 0.0 111.387 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.71 158.2 40.04 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 112.31 -2.223 . . . . 0.0 105.645 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.83 137.66 48.2 Favored 'General case' 0 N--CA 1.506 2.361 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.585 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.555 HD21 ' CD1' ' A' ' 14' ' ' TYR . 1.0 OUTLIER -137.15 170.03 16.79 Favored 'General case' 0 N--CA 1.502 2.144 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.417 -179.787 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.593 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 90.0 m -129.75 142.14 50.75 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 9' ' ' GLN . 41.9 t80 -97.35 74.17 2.47 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 103.842 -2.651 . . . . 0.0 103.842 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? 36.87 13.98 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 117.862 2.542 . . . . 0.0 117.862 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' TYR . 2.3 mt-30 -157.07 -53.73 0.08 Allowed 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -104.91 175.58 5.44 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.792 -179.521 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.593 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 72.2 m -133.36 137.48 45.9 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 125.723 1.889 . . . . 0.0 111.584 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.446 HG23 ' HG ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -140.83 169.39 15.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 CA-C-N 113.452 -1.704 . . . . 0.0 111.691 -179.557 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.6 m -110.51 141.37 43.75 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 103.949 -2.611 . . . . 0.0 103.949 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.555 ' CD1' HD21 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -127.98 123.38 34.65 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 102.063 -3.31 . . . . 0.0 102.063 179.592 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 90.5 m -118.58 120.54 37.79 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 103.257 -2.868 . . . . 0.0 103.257 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -77.45 163.29 26.49 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.43 -177.48 20.69 Favored Glycine 0 N--CA 1.496 2.7 0 CA-C-N 113.77 -1.559 . . . . 0.0 110.713 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.2 mmt85 -123.72 61.91 1.07 Allowed 'General case' 0 N--CA 1.499 1.988 0 CA-C-O 122.409 1.099 . . . . 0.0 110.253 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.741 0 O-C-N 117.961 -2.962 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.889 0 CA-C-O 122.658 1.218 . . . . 0.0 108.686 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 59.1 m -94.91 143.69 26.27 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.432 -1.713 . . . . 0.0 113.054 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.47 171.92 16.29 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -101.37 141.38 34.32 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.464 HD23 ' CE1' ' A' ' 14' ' ' TYR . 16.4 tp -133.22 158.47 42.8 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 104.122 -2.548 . . . . 0.0 104.122 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 87.0 m -130.83 143.8 50.99 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 119.21 0.914 . . . . 0.0 112.302 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 9' ' ' GLN . 9.7 t80 -101.91 78.32 1.79 Allowed 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt 18.68 34.98 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.32 0 N-CA-C 118.69 2.848 . . . . 0.0 118.69 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.9 OUTLIER 178.04 -40.1 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.185 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -103.07 162.88 12.58 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 110.601 -3.0 . . . . 0.0 108.712 179.831 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 63.7 m -144.61 133.01 21.91 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 126.664 2.477 . . . . 0.0 106.199 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -146.43 178.18 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 O-C-N 124.845 1.341 . . . . 0.0 108.944 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.7 m -103.82 149.15 25.31 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.464 ' CE1' HD23 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -128.42 128.71 44.96 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 104.698 -2.334 . . . . 0.0 104.698 179.714 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 61.6 m -120.21 112.89 19.63 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 124.812 1.32 . . . . 0.0 110.836 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -89.27 167.49 13.03 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.22 -49.65 0.94 Allowed Glycine 0 N--CA 1.495 2.626 0 N-CA-C 109.001 -1.639 . . . . 0.0 109.001 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 41.49 39.33 1.05 Allowed 'General case' 0 N--CA 1.503 2.204 0 O-C-N 125.463 1.331 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.476 0 O-C-N 118.858 -2.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.775 0 N-CA-C 103.33 -2.841 . . . . 0.0 103.33 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 75.2 m -115.13 134.56 55.05 Favored 'General case' 0 C--N 1.291 -1.962 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.0 171.57 14.24 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -105.01 146.98 28.3 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 104.646 -2.353 . . . . 0.0 104.646 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.431 HD21 ' CD1' ' A' ' 14' ' ' TYR . 6.8 tp -142.06 161.39 38.11 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 103.627 -2.731 . . . . 0.0 103.627 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.567 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 93.5 m -132.6 146.97 52.31 Favored 'General case' 0 N--CA 1.5 2.063 0 CA-C-N 119.849 1.204 . . . . 0.0 113.836 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' GLN . 33.0 t80 -102.98 79.24 1.74 Allowed 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt 16.41 40.52 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.412 0 N-CA-C 118.998 2.962 . . . . 0.0 118.998 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 7' ' ' TYR . 50.8 tt0 172.19 -39.32 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.2 0 N-CA-C 104.724 -2.325 . . . . 0.0 104.724 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -107.52 166.57 10.57 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 112.973 -1.921 . . . . 0.0 109.035 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.567 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 58.2 m -140.5 135.85 32.34 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 179.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.42 179.3 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 125.06 1.475 . . . . 0.0 107.745 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.8 m -110.81 149.83 30.0 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.431 ' CD1' HD21 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -135.43 121.2 19.64 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 104.135 -2.543 . . . . 0.0 104.135 179.595 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 97.9 m -114.16 135.49 53.98 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 101.728 -3.434 . . . . 0.0 101.728 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.482 ' HG2' ' N ' ' A' ' 17' ' ' GLY . 21.7 ttt180 -99.08 157.99 15.97 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-N 112.916 -1.947 . . . . 0.0 107.877 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.482 ' N ' ' HG2' ' A' ' 16' ' ' ARG . . . 163.05 170.48 27.99 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 106.848 -2.501 . . . . 0.0 106.848 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.35 67.77 0.94 Allowed 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 105.569 -2.011 . . . . 0.0 105.569 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.706 0 O-C-N 118.092 -2.88 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.67 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 78.2 m -86.72 134.63 33.57 Favored 'General case' 0 C--N 1.288 -2.067 0 CA-C-N 111.997 -2.365 . . . . 0.0 111.807 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.77 164.64 29.65 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 103.763 -2.68 . . . . 0.0 103.763 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 12' ' ' VAL . 24.0 ttm-85 -110.82 145.24 38.54 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 119.23 -0.988 . . . . 0.0 108.484 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.475 HD21 ' CE1' ' A' ' 14' ' ' TYR . 0.2 OUTLIER -141.35 150.67 42.75 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 93.1 m -120.56 148.3 44.05 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 9' ' ' GLN . 1.1 t80 -99.05 62.9 1.31 Allowed 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 102.98 -2.97 . . . . 0.0 102.98 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? 39.54 9.77 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 117.145 2.276 . . . . 0.0 117.145 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 7' ' ' TYR . 41.2 tt0 -144.81 -52.84 0.3 Allowed 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 105.82 -1.919 . . . . 0.0 105.82 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.498 ' CZ ' HG13 ' A' ' 12' ' ' VAL . 7.3 ptm180 -109.02 177.82 4.65 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 113.018 -1.901 . . . . 0.0 111.15 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 78.1 m -137.63 145.94 43.33 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 125.63 1.831 . . . . 0.0 110.314 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.498 HG13 ' CZ ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -142.09 177.48 3.1 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 O-C-N 126.234 2.209 . . . . 0.0 107.832 179.758 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.3 m -118.37 145.08 45.43 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 104.597 -2.371 . . . . 0.0 104.597 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.475 ' CE1' HD21 ' A' ' 5' ' ' LEU . 1.1 m-85 -125.16 127.09 46.29 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 101.881 -3.378 . . . . 0.0 101.881 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 73.3 m -125.32 105.69 9.29 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 104.972 -2.232 . . . . 0.0 104.972 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -80.66 153.43 27.92 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 117.172 -1.811 . . . . 0.0 108.628 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 136.01 -165.02 24.98 Favored Glycine 0 C--N 1.296 -1.679 1 N-CA-C 100.852 -4.899 . . . . 0.0 100.852 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.78 64.68 0.8 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.738 0 O-C-N 118.938 -2.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.645 0 CA-C-O 122.157 0.98 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 79.1 m -91.94 118.95 31.24 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 111.22 -2.718 . . . . 0.0 112.154 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.8 ptm85 -132.12 168.54 17.82 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 111.022 -2.808 . . . . 0.0 109.074 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -112.02 156.5 22.07 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.491 ' N ' HD22 ' A' ' 5' ' ' LEU . 2.1 pt? -154.48 162.74 40.99 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 124.325 1.015 . . . . 0.0 108.311 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 97.2 m -129.68 139.17 51.45 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.424 ' N ' ' O ' ' A' ' 10' ' ' ARG . 45.2 t80 -97.21 71.48 2.4 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 116.96 -1.896 . . . . 0.0 107.905 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt 43.29 14.57 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.15 0 CA-C-N 110.663 -2.972 . . . . 0.0 115.665 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -161.58 -55.49 0.05 OUTLIER 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 105.915 -1.883 . . . . 0.0 105.915 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -99.34 174.42 6.3 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 113.902 -1.499 . . . . 0.0 111.817 -179.355 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 82.3 m -135.81 138.62 42.75 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 125.568 1.792 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.414 HG22 ' HG ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -143.64 179.45 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 125.124 1.515 . . . . 0.0 109.368 -179.548 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.1 m -118.73 148.54 42.68 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 105.094 -2.188 . . . . 0.0 105.094 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -130.24 126.77 38.14 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 102.597 -3.112 . . . . 0.0 102.597 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 59.3 m -120.18 111.22 17.56 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 101.67 -3.455 . . . . 0.0 101.67 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 -85.44 154.71 21.64 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 116.617 -2.033 . . . . 0.0 106.796 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 136.16 -155.81 22.63 Favored Glycine 0 N--CA 1.484 1.85 1 N-CA-C 101.045 -4.822 . . . . 0.0 101.045 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -123.86 170.94 10.06 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.696 0 O-C-N 118.619 -2.551 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 77.5 m -105.48 132.58 51.47 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 114.23 -1.35 . . . . 0.0 111.374 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.412 ' C ' ' HD3' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -135.25 170.22 16.26 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 112.515 -2.13 . . . . 0.0 109.238 -179.716 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -109.08 153.95 22.96 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.477 HD23 ' CE1' ' A' ' 14' ' ' TYR . 2.0 tp -146.44 150.84 36.39 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 88.4 m -125.3 142.07 51.71 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 9' ' ' GLN . 24.5 t80 -101.3 65.28 1.05 Allowed 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 118.1 -1.44 . . . . 0.0 109.044 -179.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? 38.68 12.85 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.325 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 7' ' ' TYR . 14.6 mm-40 -149.59 -51.83 0.15 Allowed 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 7' ' ' TYR . 2.2 ptt180 -113.38 177.3 4.68 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.862 -1.063 . . . . 0.0 112.871 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 87.6 m -139.14 133.0 30.88 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 125.946 2.029 . . . . 0.0 107.404 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.85 177.85 2.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 125.368 1.667 . . . . 0.0 108.365 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.7 m -112.14 155.41 23.95 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.891 -1.049 . . . . 0.0 108.547 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.477 ' CE1' HD23 ' A' ' 5' ' ' LEU . 2.2 m-85 -136.86 127.55 27.11 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 104.176 -2.527 . . . . 0.0 104.176 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 91.8 m -123.69 125.08 44.14 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 102.824 -3.028 . . . . 0.0 102.824 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -68.6 170.39 9.32 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.76 -62.74 1.92 Allowed Glycine 0 N--CA 1.503 3.101 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.859 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 12.13 57.46 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.307 0 N-CA-C 115.691 1.738 . . . . 0.0 115.691 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.525 0 O-C-N 117.62 -3.175 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.2 m -106.71 142.33 36.53 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-N 113.256 -1.793 . . . . 0.0 113.648 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.98 158.58 43.47 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 113.173 -1.831 . . . . 0.0 107.015 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -105.09 155.79 18.68 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.548 HD21 ' N ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -160.85 166.71 28.07 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.68 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.55 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 73.2 m -132.22 145.84 51.6 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.431 ' CE1' ' CE ' ' A' ' 8' ' ' LYS . 44.4 t80 -108.06 87.89 2.6 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 103.358 -2.83 . . . . 0.0 103.358 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.431 ' CE ' ' CE1' ' A' ' 7' ' ' TYR . 22.0 mtmt 21.99 73.76 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.948 0 O-C-N 126.141 2.151 . . . . 0.0 112.266 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 129.05 -55.12 0.01 OUTLIER 'General case' 0 N--CA 1.517 2.879 0 O-C-N 126.953 2.658 . . . . 0.0 112.5 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 7' ' ' TYR . 2.8 ptm180 -92.83 156.28 17.09 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.054 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.55 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 87.6 m -128.2 131.37 48.86 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 m -135.73 -177.21 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 CA-C-N 112.5 -2.136 . . . . 0.0 111.832 -179.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.5 m -127.06 144.55 51.0 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 103.758 -2.682 . . . . 0.0 103.758 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.451 ' CD1' HD22 ' A' ' 5' ' ' LEU . 2.0 m-85 -130.2 128.73 42.28 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 102.929 -2.989 . . . . 0.0 102.929 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 93.3 m -124.13 133.35 53.61 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 102.852 -3.018 . . . . 0.0 102.852 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.69 160.57 17.28 Favored 'General case' 0 C--N 1.284 -2.265 0 CA-C-N 112.408 -2.178 . . . . 0.0 109.081 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.75 58.53 0.34 Allowed Glycine 0 N--CA 1.503 3.146 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.185 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.2 ttt85 74.49 -54.29 0.67 Allowed 'General case' 0 N--CA 1.502 2.134 0 CA-C-O 121.361 0.601 . . . . 0.0 109.46 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.682 0 O-C-N 119.304 -2.123 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.247 0 N-CA-C 102.874 -3.009 . . . . 0.0 102.874 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.4 m -107.24 137.85 44.53 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-O 122.991 1.377 . . . . 0.0 114.441 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.09 159.22 40.72 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 112.157 -2.292 . . . . 0.0 105.057 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 ttt85 -111.11 141.46 44.58 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.401 HD22 ' N ' ' A' ' 5' ' ' LEU . 2.5 pt? -146.35 171.54 14.85 Favored 'General case' 0 N--CA 1.503 2.204 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.577 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 84.4 m -132.79 154.66 50.05 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.402 -1.332 . . . . 0.0 107.402 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -106.78 61.76 0.63 Allowed 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt 30.43 42.75 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.611 0 CA-C-N 113.535 -1.666 . . . . 0.0 113.962 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -176.64 -64.12 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 110.09 -3.232 . . . . 0.0 107.026 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -102.82 172.48 6.81 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.098 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.577 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 90.6 m -132.35 135.71 46.35 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 m -137.5 178.03 5.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 CA-C-N 112.886 -1.961 . . . . 0.0 111.623 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.5 m -119.25 140.53 50.09 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 101.245 -3.613 . . . . 0.0 101.245 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -127.4 124.61 38.92 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 103.416 -2.809 . . . . 0.0 103.416 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.5 m -121.49 121.1 36.76 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 100.699 -3.815 . . . . 0.0 100.699 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 17' ' ' GLY . 33.5 ttm-85 -88.23 166.88 14.04 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 118.242 -1.383 . . . . 0.0 107.553 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.424 ' N ' ' CG ' ' A' ' 16' ' ' ARG . . . 138.79 -90.78 0.2 Allowed Glycine 0 N--CA 1.489 2.208 0 N-CA-C 105.381 -3.088 . . . . 0.0 105.381 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.6 ttt180 -129.02 -45.02 1.27 Allowed 'General case' 0 N--CA 1.494 1.749 0 CA-C-O 121.898 0.856 . . . . 0.0 109.138 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.56 0 O-C-N 118.721 -2.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.69 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 82.5 m -98.44 139.93 33.44 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 113.149 -1.841 . . . . 0.0 112.969 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.34 159.23 42.64 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 113.127 -1.851 . . . . 0.0 106.282 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -107.75 143.49 36.21 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.469 HD23 ' CD1' ' A' ' 14' ' ' TYR . 2.2 pt? -143.04 170.2 16.16 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 124.591 1.182 . . . . 0.0 109.557 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 83.1 m -134.82 145.89 48.78 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 10' ' ' ARG . 50.8 t80 -101.06 74.47 1.6 Allowed 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt 41.81 23.62 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 CA-C-N 110.941 -2.845 . . . . 0.0 114.994 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -173.77 -50.62 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 122.362 1.077 . . . . 0.0 109.813 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 7' ' ' TYR . 3.7 ptm180 -101.61 162.64 12.76 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.411 -1.268 . . . . 0.0 109.025 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 97.5 m -127.5 137.24 52.6 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 124.808 1.317 . . . . 0.0 109.423 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.99 -179.77 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-N 113.46 -1.7 . . . . 0.0 111.253 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.9 m -118.98 144.14 46.65 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 112.164 -2.289 . . . . 0.0 105.792 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.469 ' CD1' HD23 ' A' ' 5' ' ' LEU . 1.1 m-85 -129.49 130.1 45.4 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 102.283 -3.228 . . . . 0.0 102.283 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 84.5 m -123.27 118.76 28.31 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 103.964 -2.606 . . . . 0.0 103.964 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -74.8 155.9 37.09 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 105.087 -2.19 . . . . 0.0 105.087 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.18 -172.82 14.53 Favored Glycine 0 N--CA 1.496 2.67 0 N-CA-C 108.071 -2.012 . . . . 0.0 108.071 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.8 mmm-85 -129.25 159.57 35.7 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.659 0 O-C-N 118.464 -2.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 64.5 m -108.67 136.89 47.5 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-N 114.406 -1.27 . . . . 0.0 113.323 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -129.85 163.11 27.02 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 105.344 -2.095 . . . . 0.0 105.344 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -110.53 139.75 45.47 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 102.091 -3.3 . . . . 0.0 102.091 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.8 tp -137.43 161.08 37.3 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 83.1 m -130.44 142.49 50.5 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-N 118.824 0.738 . . . . 0.0 110.566 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -105.33 83.01 1.9 Allowed 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 101.612 -3.477 . . . . 0.0 101.612 -179.707 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt 0.72 76.88 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 O-C-N 126.859 2.6 . . . . 0.0 112.886 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 148.62 -46.87 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.224 0 O-C-N 128.023 3.327 . . . . 0.0 106.025 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 7' ' ' TYR . 9.6 ptp180 -117.66 169.75 9.32 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 91.2 m -137.14 136.59 38.39 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 125.215 1.572 . . . . 0.0 108.615 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.08 176.59 3.15 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 O-C-N 125.216 1.573 . . . . 0.0 110.048 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.5 m -114.75 148.44 38.35 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -124.72 111.67 15.84 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 112.053 -2.339 . . . . 0.0 110.107 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 87.5 m -114.13 123.54 49.87 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 103.368 -2.827 . . . . 0.0 103.368 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -76.07 171.42 14.5 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 113.416 -1.72 . . . . 0.0 107.887 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.12 -96.36 0.5 Allowed Glycine 0 N--CA 1.494 2.537 0 N-CA-C 106.573 -2.611 . . . . 0.0 106.573 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.11 46.78 2.57 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.535 0 O-C-N 119.054 -2.279 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 83.8 m -98.03 138.43 35.35 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 114.191 -1.368 . . . . 0.0 111.503 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.16 160.52 39.61 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 104.201 -2.518 . . . . 0.0 104.201 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -110.9 148.62 32.08 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.282 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.509 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.3 pt? -149.02 169.58 20.31 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 113.894 -1.503 . . . . 0.0 108.284 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 98.1 m -132.05 142.39 49.53 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 104.233 -2.506 . . . . 0.0 104.233 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.434 ' C ' ' H ' ' A' ' 9' ' ' GLN . 67.3 t80 -99.32 78.26 2.2 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 102.455 -3.165 . . . . 0.0 102.455 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? 37.66 7.58 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 110.652 -2.976 . . . . 0.0 118.415 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.434 ' H ' ' C ' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -157.3 -45.98 0.07 Allowed 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -102.11 165.52 11.11 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.362 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 89.8 m -129.25 132.11 47.15 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 125.061 1.476 . . . . 0.0 108.925 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 m -137.67 176.41 7.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 CA-C-N 113.69 -1.596 . . . . 0.0 111.656 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.3 m -117.03 143.15 46.07 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 111.438 -2.619 . . . . 0.0 104.738 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.495 ' CD1' HD21 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -129.14 131.14 47.16 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 102.42 -3.178 . . . . 0.0 102.42 179.542 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 91.6 m -125.37 121.65 34.53 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -79.11 -178.74 6.31 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 103.555 -2.758 . . . . 0.0 103.555 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' NH2 . . . 118.18 -60.92 0.46 Allowed Glycine 0 N--CA 1.505 3.266 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.572 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -9.53 63.62 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.351 0 N-CA-C 118.273 2.694 . . . . 0.0 118.273 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' GLY . . . . . . . . 0 C--N 1.298 -1.635 0 O-C-N 116.86 -3.65 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.626 0 CA-C-O 122.657 1.218 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 94.4 m -103.66 118.5 36.87 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-N 110.702 -2.953 . . . . 0.0 108.565 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.54 168.19 20.38 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 113.029 -1.896 . . . . 0.0 105.978 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -101.86 141.83 34.1 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.451 HD22 ' CE1' ' A' ' 14' ' ' TYR . 8.7 tp -137.33 160.46 39.01 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 73.9 m -130.73 161.78 30.92 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.465 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -127.71 101.36 6.35 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 104.26 -2.496 . . . . 0.0 104.26 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt 68.1 -67.66 0.19 Allowed 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -141.49 -10.28 0.94 Allowed 'General case' 0 C--N 1.294 -1.836 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.644 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 12.5 ptm180 -96.85 159.14 15.09 Favored 'General case' 0 C--O 1.203 -1.377 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 90.6 m -134.94 141.44 46.28 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 124.524 1.14 . . . . 0.0 109.851 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.62 177.82 2.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 125.84 1.962 . . . . 0.0 109.727 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.5 m -111.44 145.11 39.56 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.451 ' CE1' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -124.65 123.7 40.62 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 103.164 -2.902 . . . . 0.0 103.164 179.665 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.4 m -125.27 118.32 25.73 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 102.849 -3.019 . . . . 0.0 102.849 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -82.15 156.19 24.61 Favored 'General case' 0 N--CA 1.503 2.204 0 C-N-CA 118.263 -1.375 . . . . 0.0 111.031 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.18 -70.83 0.51 Allowed Glycine 0 N--CA 1.501 3.018 0 CA-C-N 115.004 -0.998 . . . . 0.0 114.459 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.86 -170.16 3.51 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.579 0 O-C-N 118.138 -2.851 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . 0.424 ' H ' ' N ' ' A' ' 17' ' ' GLY . . . . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 61.8 m -82.18 117.66 22.49 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-N 113.0 -1.909 . . . . 0.0 111.22 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.91 164.78 26.82 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 105.087 -2.19 . . . . 0.0 105.087 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 12' ' ' VAL . 32.4 ttm180 -119.72 145.75 46.25 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 119.669 -0.813 . . . . 0.0 110.718 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.406 HD23 ' CG ' ' A' ' 14' ' ' TYR . 0.7 OUTLIER -142.91 171.66 13.76 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 125.197 1.561 . . . . 0.0 108.364 -179.749 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.576 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 97.4 m -129.12 143.87 51.01 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.448 -0.901 . . . . 0.0 111.794 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' ARG . 24.5 t80 -98.9 81.1 2.58 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt 17.5 44.73 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.365 0 O-C-N 126.302 2.251 . . . . 0.0 115.807 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' TYR . 37.7 tt0 170.55 -53.06 0.01 OUTLIER 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 112.463 -2.153 . . . . 0.0 105.958 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -100.05 170.18 8.67 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.599 -179.696 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.576 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 68.7 m -133.2 130.88 39.68 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 105.24 -2.133 . . . . 0.0 105.24 179.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.424 ' O ' ' HG3' ' A' ' 4' ' ' ARG . 1.1 m -137.74 161.43 33.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 CA-C-N 113.348 -1.751 . . . . 0.0 111.65 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.9 m -107.02 146.1 31.53 Favored 'General case' 0 C--N 1.288 -2.094 0 CA-C-N 111.542 -2.572 . . . . 0.0 104.426 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.406 ' CG ' HD23 ' A' ' 5' ' ' LEU . 1.6 m-85 -131.99 135.15 46.34 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 105.005 -2.221 . . . . 0.0 105.005 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 4.6 t -125.03 112.45 16.56 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 101.834 -3.395 . . . . 0.0 101.834 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -99.28 26.4 6.01 Favored 'General case' 0 N--CA 1.509 2.511 0 CA-C-O 123.691 1.71 . . . . 0.0 109.69 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.424 ' N ' ' H ' ' A' ' 1' ' ' PCA . . . -134.58 49.29 0.91 Allowed Glycine 0 N--CA 1.497 2.76 0 CA-C-N 110.767 -2.924 . . . . 0.0 107.599 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -114.33 66.4 0.67 Allowed 'General case' 0 N--CA 1.501 2.107 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.716 0 O-C-N 118.729 -2.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . 0.255 . . . . . . . 0 C--O 1.216 -0.69 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 76.3 m -99.38 135.99 39.98 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-N 112.931 -1.941 . . . . 0.0 110.427 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.95 162.0 34.48 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 105.731 -1.951 . . . . 0.0 105.731 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 5' ' ' LEU . 27.9 ttm180 -111.86 149.25 32.08 Favored 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.45 ' N ' HD22 ' A' ' 5' ' ' LEU . 2.2 pt? -147.55 163.09 37.65 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.592 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 95.4 m -127.75 137.57 52.48 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 117.669 -1.613 . . . . 0.0 109.693 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 9' ' ' GLN . 41.3 t80 -89.31 74.88 7.81 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? 35.11 13.92 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.364 0 N-CA-C 117.298 2.333 . . . . 0.0 117.298 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -168.38 -47.53 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -90.94 165.53 13.52 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 111.193 -2.73 . . . . 0.0 108.759 -179.869 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.592 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 86.8 m -137.65 133.54 34.41 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 126.4 2.312 . . . . 0.0 105.65 179.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.438 HG23 ' CD2' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -137.93 179.22 3.61 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 125.57 1.794 . . . . 0.0 109.947 -179.482 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.3 m -121.72 147.27 46.12 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 105.178 -2.156 . . . . 0.0 105.178 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.44 ' CD1' HD23 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -128.14 120.53 27.53 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 103.329 -2.841 . . . . 0.0 103.329 179.718 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 77.4 m -119.53 118.52 31.28 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 101.958 -3.349 . . . . 0.0 101.958 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -102.29 23.7 11.35 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 122.777 1.275 . . . . 0.0 108.975 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -135.9 161.11 24.79 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 107.584 -2.206 . . . . 0.0 107.584 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -124.84 161.48 26.42 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.559 0 O-C-N 118.598 -2.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.575 0 CA-C-O 123.889 1.804 . . . . 0.0 107.651 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 81.6 m -91.18 125.91 36.11 Favored 'General case' 0 C--N 1.281 -2.412 0 CA-C-N 110.188 -3.187 . . . . 0.0 109.547 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.07 167.59 21.76 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 113.506 -1.679 . . . . 0.0 108.575 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.3 ttt-85 -105.31 142.03 35.79 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.432 ' N ' HD23 ' A' ' 5' ' ' LEU . 2.4 pt? -144.79 166.48 25.1 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.568 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 71.7 m -130.55 151.28 51.19 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 119.722 -0.791 . . . . 0.0 108.95 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.407 ' HB3' ' HG2' ' A' ' 10' ' ' ARG . 3.8 t80 -97.38 62.09 1.72 Allowed 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 102.522 -3.14 . . . . 0.0 102.522 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? 32.04 51.03 0.18 Allowed 'General case' 0 N--CA 1.503 2.217 0 CA-C-N 113.815 -1.539 . . . . 0.0 112.868 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? 169.81 -62.55 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 CA-C-N 111.415 -2.63 . . . . 0.0 107.727 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.407 ' HG2' ' HB3' ' A' ' 7' ' ' TYR . 14.4 ptt85 -99.95 167.31 10.58 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.16 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.568 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 76.5 m -132.18 137.97 47.83 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 124.157 0.911 . . . . 0.0 112.809 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.405 HG23 ' CD2' ' A' ' 5' ' ' LEU . 1.2 m -136.71 -175.76 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 C-N-CA 126.591 1.956 . . . . 0.0 112.649 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.1 m -126.39 145.67 50.37 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 113.196 -1.82 . . . . 0.0 106.108 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.465 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 1.0 OUTLIER -127.03 132.1 50.81 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 104.802 -2.295 . . . . 0.0 104.802 179.701 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 32.9 m -120.21 97.27 5.51 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 125.085 1.49 . . . . 0.0 108.323 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -90.61 64.15 5.65 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 125.324 2.488 . . . . 0.0 105.699 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 166.07 -178.41 40.72 Favored Glycine 0 N--CA 1.492 2.395 1 CA-C-N 108.141 -4.118 . . . . 0.0 109.476 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 122.28 56.21 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.637 0 N-CA-C 104.458 -2.423 . . . . 0.0 104.458 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.637 0 O-C-N 118.499 -2.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . 0.25 . . . . . . . 0 C--O 1.217 -0.61 0 CA-C-O 122.316 1.055 . . . . 0.0 108.884 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 71.6 m -104.27 135.67 45.3 Favored 'General case' 0 C--N 1.288 -2.094 0 CA-C-N 112.092 -2.322 . . . . 0.0 108.178 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -142.88 158.76 43.3 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 105.1 -2.185 . . . . 0.0 105.1 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.428 ' HG2' ' N ' ' A' ' 5' ' ' LEU . 8.8 ttm180 -102.71 150.74 23.16 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 105.345 -2.094 . . . . 0.0 105.345 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.528 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.1 pt? -151.56 166.79 30.1 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 113.473 -1.694 . . . . 0.0 108.444 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.562 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 72.3 m -130.04 147.02 51.74 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.71 95.24 5.43 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt 69.25 -62.22 0.41 Allowed 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 113.481 -1.69 . . . . 0.0 111.534 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -137.74 -11.68 1.55 Allowed 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -101.87 159.25 15.5 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.562 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 84.0 m -126.53 135.73 51.67 Favored 'General case' 0 C--N 1.291 -1.939 0 O-C-N 124.332 1.02 . . . . 0.0 108.872 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -136.34 -179.78 3.28 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 CA-C-N 112.121 -2.309 . . . . 0.0 111.298 -179.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.2 m -124.14 144.52 49.85 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 112.985 -1.916 . . . . 0.0 107.429 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.444 ' CD1' HD21 ' A' ' 5' ' ' LEU . 1.7 m-85 -128.87 133.01 47.78 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 103.068 -2.938 . . . . 0.0 103.068 179.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 67.5 m -125.26 116.86 22.63 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 101.379 -3.563 . . . . 0.0 101.379 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -66.3 162.37 20.31 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 122.918 1.342 . . . . 0.0 109.061 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 137.7 -93.68 0.21 Allowed Glycine 0 N--CA 1.492 2.417 0 CA-C-N 113.43 -1.714 . . . . 0.0 109.32 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -130.34 -176.6 4.01 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.626 0 O-C-N 118.573 -2.579 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 84.5 m . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 122.062 0.934 . . . . 0.0 112.914 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -134.45 166.62 22.44 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 104.609 -2.367 . . . . 0.0 104.609 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.1 ttm-85 -108.21 146.18 33.17 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 103.748 -2.686 . . . . 0.0 103.748 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.511 HD23 ' CE1' ' A' ' 14' ' ' TYR . 1.2 tp -140.46 152.28 45.53 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 105.091 -2.188 . . . . 0.0 105.091 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.609 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 90.9 m -125.11 139.69 53.55 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 119.476 -0.889 . . . . 0.0 108.977 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 9' ' ' GLN . 17.3 t80 -97.72 80.11 2.76 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 104.29 -2.485 . . . . 0.0 104.29 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? 25.14 25.59 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.687 0 N-CA-C 118.54 2.793 . . . . 0.0 118.54 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 7' ' ' TYR . 48.2 tt0 -175.34 -47.03 0.01 OUTLIER 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 104.668 -2.345 . . . . 0.0 104.668 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 7' ' ' TYR . 1.4 ttm180 -93.67 163.19 13.64 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 113.079 -1.873 . . . . 0.0 109.231 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.609 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 87.4 m -143.7 127.36 17.08 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 126.133 2.146 . . . . 0.0 108.402 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -141.77 -179.57 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 125.108 1.505 . . . . 0.0 110.803 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.9 m -113.18 145.36 41.09 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 114.331 -1.304 . . . . 0.0 108.289 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.511 ' CE1' HD23 ' A' ' 5' ' ' LEU . 1.3 m-85 -124.31 117.28 24.16 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 66.1 m -118.94 120.07 36.19 Favored 'General case' 0 C--N 1.298 -1.648 1 N-CA-C 99.368 -4.308 . . . . 0.0 99.368 179.445 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 . . . . . 0 C--N 1.298 -1.655 0 CA-C-O 123.246 1.498 . . . . 0.0 111.368 -179.914 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 75.3 m . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.465 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.4 OUTLIER -135.66 159.5 41.44 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 -179.721 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.465 ' N ' ' HD3' ' A' ' 3' ' ' ARG . 3.1 ttm-85 -107.42 140.08 40.92 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.588 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.6 pt? -146.53 156.59 43.36 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.905 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.601 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 77.4 m -123.33 139.83 53.64 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.548 ' HB3' ' HG2' ' A' ' 10' ' ' ARG . 70.4 t80 -92.11 71.67 5.44 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 102.497 -3.149 . . . . 0.0 102.497 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? 39.93 18.82 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.428 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 3.6 tp-100 -170.27 -47.65 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.548 ' HG2' ' HB3' ' A' ' 7' ' ' TYR . 10.9 ptm180 -99.53 161.14 13.79 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.601 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 93.2 m -133.09 129.66 38.28 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 124.791 1.307 . . . . 0.0 109.037 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 m -134.75 179.01 4.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 CA-C-N 112.971 -1.922 . . . . 0.0 111.978 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.0 m -121.48 139.55 53.34 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 100.887 -3.746 . . . . 0.0 100.887 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -125.72 128.6 48.02 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 101.798 -3.408 . . . . 0.0 101.798 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 84.6 m -120.72 119.35 32.54 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 102.697 -3.075 . . . . 0.0 102.697 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.422 ' HA ' ' HD2' ' A' ' 16' ' ' ARG . 2.9 tpt180 . . . . . 0 C--N 1.294 -1.818 0 CA-C-N 113.737 -1.574 . . . . 0.0 109.235 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 75.0 m . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 121.877 0.846 . . . . 0.0 109.223 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.486 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.4 OUTLIER -135.56 155.52 50.35 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 113.037 -1.892 . . . . 0.0 107.036 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.486 ' N ' ' HD3' ' A' ' 3' ' ' ARG . 2.7 ttm-85 -104.76 139.57 39.35 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.52 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -139.75 164.01 31.08 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.952 -179.401 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.601 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 94.4 m -129.48 148.02 51.35 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.457 ' H ' ' HG2' ' A' ' 10' ' ' ARG . 2.6 m-30 -102.15 57.4 0.81 Allowed 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 101.797 -3.408 . . . . 0.0 101.797 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt 67.98 -47.45 0.52 Allowed 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 125.481 1.513 . . . . 0.0 114.824 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -110.54 -36.71 5.68 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-N 114.065 -1.425 . . . . 0.0 109.866 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.457 ' HG2' ' H ' ' A' ' 7' ' ' TYR . 2.6 ptm180 -98.44 165.83 11.66 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.601 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 83.5 m -142.76 123.66 14.33 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 179.07 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 m -138.17 176.8 6.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-N 112.538 -2.119 . . . . 0.0 111.596 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.5 m -122.1 146.57 47.08 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.412 ' CE1' HD11 ' A' ' 5' ' ' LEU . 3.8 m-30 -127.57 133.98 49.73 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 104.009 -2.589 . . . . 0.0 104.009 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 76.2 m -122.06 115.61 22.8 Favored 'General case' 0 C--N 1.298 -1.655 1 N-CA-C 99.825 -4.139 . . . . 0.0 99.825 179.348 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 . . . . . 0 C--N 1.298 -1.662 0 CA-C-N 114.647 -1.161 . . . . 0.0 108.637 -179.887 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.5 m . . . . . 0 N--CA 1.484 1.247 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -133.63 171.97 13.38 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 111.47 -2.604 . . . . 0.0 107.591 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.637 ' NH2' ' SG ' ' A' ' 6' ' ' CYS . 14.9 ttp85 -106.56 146.55 30.51 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.452 HD22 ' CD2' ' A' ' 14' ' ' TYR . 0.2 OUTLIER -138.54 159.81 41.14 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 107.175 -1.416 . . . . 0.0 107.175 -179.583 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 97.5 m -131.84 131.95 43.27 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 105.628 -1.99 . . . . 0.0 105.628 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.542 ' HB3' ' HG2' ' A' ' 10' ' ' ARG . 67.8 t80 -90.98 71.73 6.43 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? 41.03 11.24 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 7' ' ' TYR . 54.8 tt0 -158.35 -51.97 0.07 Allowed 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.542 ' HG2' ' HB3' ' A' ' 7' ' ' TYR . 5.5 ptt180 -100.74 166.99 10.6 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 113.775 -1.557 . . . . 0.0 110.27 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 92.8 m -133.78 136.36 44.48 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 124.849 1.343 . . . . 0.0 107.58 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.73 -177.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 CA-C-N 113.425 -1.716 . . . . 0.0 108.04 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -115.32 148.05 39.71 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 106.109 -1.812 . . . . 0.0 106.109 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.452 ' CD2' HD22 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -131.31 127.39 37.6 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 102.464 -3.162 . . . . 0.0 102.464 179.575 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.1 m -119.1 113.63 21.22 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 102.571 -3.122 . . . . 0.0 102.571 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 123.137 1.446 . . . . 0.0 108.457 179.877 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 81.5 m . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 122.315 1.055 . . . . 0.0 111.387 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.71 158.2 40.04 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 112.31 -2.223 . . . . 0.0 105.645 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.83 137.66 48.2 Favored 'General case' 0 N--CA 1.506 2.361 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.585 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.582 HD21 ' CD1' ' A' ' 14' ' ' TYR . 1.0 OUTLIER -137.15 170.03 16.79 Favored 'General case' 0 N--CA 1.502 2.144 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.417 -179.787 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 90.0 m -129.75 142.14 50.75 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 9' ' ' GLN . 41.9 t80 -97.35 74.17 2.47 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 103.842 -2.651 . . . . 0.0 103.842 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? 36.87 13.98 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 117.862 2.542 . . . . 0.0 117.862 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' TYR . 2.3 mt-30 -157.07 -53.73 0.08 Allowed 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -104.91 175.58 5.44 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.792 -179.521 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 72.2 m -133.36 137.48 45.9 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 125.723 1.889 . . . . 0.0 111.584 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.5 HG23 ' HG ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -140.83 169.39 15.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 CA-C-N 113.452 -1.704 . . . . 0.0 111.691 -179.557 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.6 m -110.51 141.37 43.75 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 103.949 -2.611 . . . . 0.0 103.949 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.582 ' CD1' HD21 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -127.98 123.38 34.65 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 102.063 -3.31 . . . . 0.0 102.063 179.592 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 90.5 m -118.58 120.54 37.79 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 103.257 -2.868 . . . . 0.0 103.257 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 . . . . . 0 C--N 1.292 -1.916 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 179.76 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 59.1 m . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 122.04 0.924 . . . . 0.0 113.054 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.47 171.92 16.29 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -101.37 141.38 34.32 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.477 HD23 ' CE1' ' A' ' 14' ' ' TYR . 16.4 tp -133.22 158.47 42.8 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 104.122 -2.548 . . . . 0.0 104.122 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.61 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 87.0 m -130.83 143.8 50.99 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 119.21 0.914 . . . . 0.0 112.302 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 9' ' ' GLN . 9.7 t80 -101.91 78.32 1.79 Allowed 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt 18.68 34.98 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.32 0 N-CA-C 118.69 2.848 . . . . 0.0 118.69 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.9 OUTLIER 178.04 -40.1 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.185 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -103.07 162.88 12.58 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 110.601 -3.0 . . . . 0.0 108.712 179.831 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.61 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 63.7 m -144.61 133.01 21.91 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 126.664 2.477 . . . . 0.0 106.199 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -146.43 178.18 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 O-C-N 124.845 1.341 . . . . 0.0 108.944 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.7 m -103.82 149.15 25.31 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.477 ' CE1' HD23 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -128.42 128.71 44.96 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 104.698 -2.334 . . . . 0.0 104.698 179.714 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 61.6 m -120.21 112.89 19.63 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 124.812 1.32 . . . . 0.0 110.836 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 . . . . . 0 C--N 1.292 -1.917 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 179.375 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 75.2 m . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.0 171.57 14.24 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -105.01 146.98 28.3 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 104.646 -2.353 . . . . 0.0 104.646 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.436 HD23 ' CD1' ' A' ' 14' ' ' TYR . 6.8 tp -142.06 161.39 38.11 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 103.627 -2.731 . . . . 0.0 103.627 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.6 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 93.5 m -132.6 146.97 52.31 Favored 'General case' 0 N--CA 1.5 2.063 0 CA-C-N 119.849 1.204 . . . . 0.0 113.836 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' GLN . 33.0 t80 -102.98 79.24 1.74 Allowed 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt 16.41 40.52 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.412 0 N-CA-C 118.998 2.962 . . . . 0.0 118.998 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 7' ' ' TYR . 50.8 tt0 172.19 -39.32 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.2 0 N-CA-C 104.724 -2.325 . . . . 0.0 104.724 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -107.52 166.57 10.57 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 112.973 -1.921 . . . . 0.0 109.035 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.6 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 58.2 m -140.5 135.85 32.34 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.42 179.3 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 125.06 1.475 . . . . 0.0 107.745 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.8 m -110.81 149.83 30.0 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.436 ' CD1' HD23 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -135.43 121.2 19.64 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 104.135 -2.543 . . . . 0.0 104.135 179.595 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 97.9 m -114.16 135.49 53.98 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 101.728 -3.434 . . . . 0.0 101.728 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 . . . . . 0 C--N 1.285 -2.222 0 CA-C-N 112.916 -1.947 . . . . 0.0 107.877 179.697 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 78.2 m . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 122.15 0.976 . . . . 0.0 111.807 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.77 164.64 29.65 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 103.763 -2.68 . . . . 0.0 103.763 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 12' ' ' VAL . 24.0 ttm-85 -110.82 145.24 38.54 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 119.23 -0.988 . . . . 0.0 108.484 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.493 HD23 ' CE1' ' A' ' 14' ' ' TYR . 0.2 OUTLIER -141.35 150.67 42.75 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 93.1 m -120.56 148.3 44.05 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 9' ' ' GLN . 1.1 t80 -99.05 62.9 1.31 Allowed 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 102.98 -2.97 . . . . 0.0 102.98 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? 39.54 9.77 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 117.145 2.276 . . . . 0.0 117.145 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 7' ' ' TYR . 41.2 tt0 -144.81 -52.84 0.3 Allowed 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 105.82 -1.919 . . . . 0.0 105.82 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.535 ' CZ ' HG13 ' A' ' 12' ' ' VAL . 7.3 ptm180 -109.02 177.82 4.65 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 113.018 -1.901 . . . . 0.0 111.15 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 78.1 m -137.63 145.94 43.33 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 125.63 1.831 . . . . 0.0 110.314 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.535 HG13 ' CZ ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -142.09 177.48 3.1 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 O-C-N 126.234 2.209 . . . . 0.0 107.832 179.758 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.3 m -118.37 145.08 45.43 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 104.597 -2.371 . . . . 0.0 104.597 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.493 ' CE1' HD23 ' A' ' 5' ' ' LEU . 1.1 m-85 -125.16 127.09 46.29 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 101.881 -3.378 . . . . 0.0 101.881 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 73.3 m -125.32 105.69 9.29 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 104.972 -2.232 . . . . 0.0 104.972 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 . . . . . 0 N--CA 1.485 1.325 0 C-N-CA 117.172 -1.811 . . . . 0.0 108.628 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 79.1 m . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 123.602 1.668 . . . . 0.0 112.154 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.8 ptm85 -132.12 168.54 17.82 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 111.022 -2.808 . . . . 0.0 109.074 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -112.02 156.5 22.07 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.504 ' N ' HD23 ' A' ' 5' ' ' LEU . 2.1 pt? -154.48 162.74 40.99 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 124.325 1.015 . . . . 0.0 108.311 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.663 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 97.2 m -129.68 139.17 51.45 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.464 ' HB2' ' HE ' ' A' ' 10' ' ' ARG . 45.2 t80 -97.21 71.48 2.4 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 116.96 -1.896 . . . . 0.0 107.905 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HE3' ' HB2' ' A' ' 8' ' ' LYS . 24.0 mtmt 43.29 14.57 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.15 0 CA-C-N 110.663 -2.972 . . . . 0.0 115.665 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -161.58 -55.49 0.05 OUTLIER 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 105.915 -1.883 . . . . 0.0 105.915 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.464 ' HE ' ' HB2' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -99.34 174.42 6.3 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 113.902 -1.499 . . . . 0.0 111.817 -179.355 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.663 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 82.3 m -135.81 138.62 42.75 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 125.568 1.792 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.493 HG23 ' HG ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -143.64 179.45 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 125.124 1.515 . . . . 0.0 109.368 -179.548 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.1 m -118.73 148.54 42.68 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 105.094 -2.188 . . . . 0.0 105.094 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.436 ' CD1' HD21 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -130.24 126.77 38.14 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 102.597 -3.112 . . . . 0.0 102.597 179.628 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 59.3 m -120.18 111.22 17.56 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 101.67 -3.455 . . . . 0.0 101.67 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 . . . . . 0 C--N 1.303 -1.422 0 C-N-CA 116.617 -2.033 . . . . 0.0 106.796 179.808 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 77.5 m . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 122.695 1.235 . . . . 0.0 111.374 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.464 ' C ' ' HD3' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -135.25 170.22 16.26 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 112.515 -2.13 . . . . 0.0 109.238 -179.716 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -109.08 153.95 22.96 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.489 HD23 ' CE1' ' A' ' 14' ' ' TYR . 2.0 tp -146.44 150.84 36.39 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 88.4 m -125.3 142.07 51.71 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 9' ' ' GLN . 24.5 t80 -101.3 65.28 1.05 Allowed 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 118.1 -1.44 . . . . 0.0 109.044 -179.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? 38.68 12.85 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.325 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 7' ' ' TYR . 14.6 mm-40 -149.59 -51.83 0.15 Allowed 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.411 HH11 HG11 ' A' ' 12' ' ' VAL . 2.2 ptt180 -113.38 177.3 4.68 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.862 -1.063 . . . . 0.0 112.871 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 87.6 m -139.14 133.0 30.88 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 125.946 2.029 . . . . 0.0 107.404 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.411 HG11 HH11 ' A' ' 10' ' ' ARG . 0.0 OUTLIER -141.85 177.85 2.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 125.368 1.667 . . . . 0.0 108.365 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.7 m -112.14 155.41 23.95 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.891 -1.049 . . . . 0.0 108.547 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.489 ' CE1' HD23 ' A' ' 5' ' ' LEU . 2.2 m-85 -136.86 127.55 27.11 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 104.176 -2.527 . . . . 0.0 104.176 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 91.8 m -123.69 125.08 44.14 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 102.824 -3.028 . . . . 0.0 102.824 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 . . . . . 0 C--N 1.292 -1.899 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 179.449 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 73.2 m . . . . . 0 N--CA 1.485 1.318 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.98 158.58 43.47 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 113.173 -1.831 . . . . 0.0 107.015 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -105.09 155.79 18.68 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.629 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -160.85 166.71 28.07 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.68 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 73.2 m -132.22 145.84 51.6 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.431 ' CE1' ' CE ' ' A' ' 8' ' ' LYS . 44.4 t80 -108.06 87.89 2.6 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 103.358 -2.83 . . . . 0.0 103.358 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.431 ' CE ' ' CE1' ' A' ' 7' ' ' TYR . 22.0 mtmt 21.99 73.76 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.948 0 O-C-N 126.141 2.151 . . . . 0.0 112.266 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 129.05 -55.12 0.01 OUTLIER 'General case' 0 N--CA 1.517 2.879 0 O-C-N 126.953 2.658 . . . . 0.0 112.5 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 7' ' ' TYR . 2.8 ptm180 -92.83 156.28 17.09 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.054 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 87.6 m -128.2 131.37 48.86 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 m -135.73 -177.21 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 CA-C-N 112.5 -2.136 . . . . 0.0 111.832 -179.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.5 m -127.06 144.55 51.0 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 103.758 -2.682 . . . . 0.0 103.758 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.421 ' CD1' HD21 ' A' ' 5' ' ' LEU . 2.0 m-85 -130.2 128.73 42.28 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 102.929 -2.989 . . . . 0.0 102.929 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 93.3 m -124.13 133.35 53.61 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 102.852 -3.018 . . . . 0.0 102.852 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.284 -2.265 0 CA-C-N 112.408 -2.178 . . . . 0.0 109.081 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.4 m . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 122.991 1.377 . . . . 0.0 114.441 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.09 159.22 40.72 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 112.157 -2.292 . . . . 0.0 105.057 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 ttt85 -111.11 141.46 44.58 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 5' ' ' LEU . 2.5 pt? -146.35 171.54 14.85 Favored 'General case' 0 N--CA 1.503 2.204 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.639 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 84.4 m -132.79 154.66 50.05 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.402 -1.332 . . . . 0.0 107.402 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -106.78 61.76 0.63 Allowed 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt 30.43 42.75 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.611 0 CA-C-N 113.535 -1.666 . . . . 0.0 113.962 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -176.64 -64.12 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 110.09 -3.232 . . . . 0.0 107.026 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -102.82 172.48 6.81 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.098 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.639 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 90.6 m -132.35 135.71 46.35 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.427 HG23 ' CD2' ' A' ' 5' ' ' LEU . 2.4 m -137.5 178.03 5.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 CA-C-N 112.886 -1.961 . . . . 0.0 111.623 -179.184 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.5 m -119.25 140.53 50.09 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 101.245 -3.613 . . . . 0.0 101.245 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.443 ' HB2' HD22 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -127.4 124.61 38.92 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 103.416 -2.809 . . . . 0.0 103.416 179.722 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.5 m -121.49 121.1 36.76 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 100.699 -3.815 . . . . 0.0 100.699 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.5 ttm-85 . . . . . 0 C--N 1.295 -1.792 0 C-N-CA 118.242 -1.383 . . . . 0.0 107.553 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 82.5 m . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 121.801 0.81 . . . . 0.0 112.969 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.34 159.23 42.64 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 113.127 -1.851 . . . . 0.0 106.282 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -107.75 143.49 36.21 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.462 ' H ' HD23 ' A' ' 5' ' ' LEU . 2.2 pt? -143.04 170.2 16.16 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 124.591 1.182 . . . . 0.0 109.557 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.642 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 83.1 m -134.82 145.89 48.78 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.409 ' N ' ' O ' ' A' ' 10' ' ' ARG . 50.8 t80 -101.06 74.47 1.6 Allowed 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt 41.81 23.62 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 CA-C-N 110.941 -2.845 . . . . 0.0 114.994 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -173.77 -50.62 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 122.362 1.077 . . . . 0.0 109.813 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' A' ' 6' ' ' CYS . 3.7 ptm180 -101.61 162.64 12.76 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.411 -1.268 . . . . 0.0 109.025 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.642 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 97.5 m -127.5 137.24 52.6 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 124.808 1.317 . . . . 0.0 109.423 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.99 -179.77 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-N 113.46 -1.7 . . . . 0.0 111.253 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.9 m -118.98 144.14 46.65 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 112.164 -2.289 . . . . 0.0 105.792 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.461 ' CD1' HD21 ' A' ' 5' ' ' LEU . 1.1 m-85 -129.49 130.1 45.4 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 102.283 -3.228 . . . . 0.0 102.283 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 84.5 m -123.27 118.76 28.31 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 103.964 -2.606 . . . . 0.0 103.964 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? . . . . . 0 C--N 1.298 -1.655 0 N-CA-C 105.087 -2.19 . . . . 0.0 105.087 179.651 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 64.5 m . . . . . 0 N--CA 1.483 1.177 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -129.85 163.11 27.02 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 105.344 -2.095 . . . . 0.0 105.344 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -110.53 139.75 45.47 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 102.091 -3.3 . . . . 0.0 102.091 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.8 tp -137.43 161.08 37.3 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.645 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 83.1 m -130.44 142.49 50.5 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-N 118.824 0.738 . . . . 0.0 110.566 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -105.33 83.01 1.9 Allowed 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 101.612 -3.477 . . . . 0.0 101.612 -179.707 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt 0.72 76.88 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 O-C-N 126.859 2.6 . . . . 0.0 112.886 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 148.62 -46.87 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.224 0 O-C-N 128.023 3.327 . . . . 0.0 106.025 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 7' ' ' TYR . 9.6 ptp180 -117.66 169.75 9.32 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.645 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 91.2 m -137.14 136.59 38.39 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 125.215 1.572 . . . . 0.0 108.615 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.08 176.59 3.15 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 O-C-N 125.216 1.573 . . . . 0.0 110.048 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.5 m -114.75 148.44 38.35 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -124.72 111.67 15.84 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 112.053 -2.339 . . . . 0.0 110.107 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 87.5 m -114.13 123.54 49.87 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 103.368 -2.827 . . . . 0.0 103.368 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 . . . . . 0 C--N 1.292 -1.933 0 CA-C-N 113.416 -1.72 . . . . 0.0 107.887 179.645 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 83.8 m . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 121.832 0.825 . . . . 0.0 111.503 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.16 160.52 39.61 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 104.201 -2.518 . . . . 0.0 104.201 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -110.9 148.62 32.08 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.282 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.548 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.3 pt? -149.02 169.58 20.31 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 113.894 -1.503 . . . . 0.0 108.284 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.69 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 98.1 m -132.05 142.39 49.53 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 104.233 -2.506 . . . . 0.0 104.233 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 9' ' ' GLN . 67.3 t80 -99.32 78.26 2.2 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 102.455 -3.165 . . . . 0.0 102.455 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? 37.66 7.58 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 110.652 -2.976 . . . . 0.0 118.415 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -157.3 -45.98 0.07 Allowed 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.411 ' HG2' ' HB3' ' A' ' 7' ' ' TYR . 7.8 ptp180 -102.11 165.52 11.11 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.362 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.69 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 89.8 m -129.25 132.11 47.15 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 125.061 1.476 . . . . 0.0 108.925 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.417 HG23 ' HG ' ' A' ' 5' ' ' LEU . 2.9 m -137.67 176.41 7.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 CA-C-N 113.69 -1.596 . . . . 0.0 111.656 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.3 m -117.03 143.15 46.07 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 111.438 -2.619 . . . . 0.0 104.738 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.49 ' CD1' HD21 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -129.14 131.14 47.16 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 102.42 -3.178 . . . . 0.0 102.42 179.542 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 91.6 m -125.37 121.65 34.53 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 . . . . . 0 C--N 1.291 -1.96 0 N-CA-C 103.555 -2.758 . . . . 0.0 103.555 179.343 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 94.4 m . . . . . 0 N--CA 1.473 0.681 0 CA-C-O 122.507 1.146 . . . . 0.0 108.565 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.54 168.19 20.38 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 113.029 -1.896 . . . . 0.0 105.978 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -101.86 141.83 34.1 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.466 HD23 ' CE1' ' A' ' 14' ' ' TYR . 8.7 tp -137.33 160.46 39.01 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 73.9 m -130.73 161.78 30.92 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.497 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -127.71 101.36 6.35 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 104.26 -2.496 . . . . 0.0 104.26 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.469 ' HB2' ' NE2' ' A' ' 9' ' ' GLN . 2.4 mtpt 68.1 -67.66 0.19 Allowed 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.469 ' NE2' ' HB2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -141.49 -10.28 0.94 Allowed 'General case' 0 C--N 1.294 -1.836 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.644 179.816 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 12.5 ptm180 -96.85 159.14 15.09 Favored 'General case' 0 C--O 1.203 -1.377 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 90.6 m -134.94 141.44 46.28 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 124.524 1.14 . . . . 0.0 109.851 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.62 177.82 2.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 125.84 1.962 . . . . 0.0 109.727 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.5 m -111.44 145.11 39.56 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.466 ' CE1' HD23 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -124.65 123.7 40.62 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 103.164 -2.902 . . . . 0.0 103.164 179.665 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 43.4 m -125.27 118.32 25.73 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 102.849 -3.019 . . . . 0.0 102.849 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 . . . . . 0 N--CA 1.503 2.204 0 C-N-CA 118.263 -1.375 . . . . 0.0 111.031 179.432 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 61.8 m . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 122.159 0.98 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.91 164.78 26.82 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 105.087 -2.19 . . . . 0.0 105.087 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 12' ' ' VAL . 32.4 ttm180 -119.72 145.75 46.25 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 119.669 -0.813 . . . . 0.0 110.718 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.414 HD21 ' CG ' ' A' ' 14' ' ' TYR . 0.7 OUTLIER -142.91 171.66 13.76 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 125.197 1.561 . . . . 0.0 108.364 -179.749 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 97.4 m -129.12 143.87 51.01 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.448 -0.901 . . . . 0.0 111.794 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.469 ' HB3' ' HG2' ' A' ' 10' ' ' ARG . 24.5 t80 -98.9 81.1 2.58 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt 17.5 44.73 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.365 0 O-C-N 126.302 2.251 . . . . 0.0 115.807 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' TYR . 37.7 tt0 170.55 -53.06 0.01 OUTLIER 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 112.463 -2.153 . . . . 0.0 105.958 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.469 ' HG2' ' HB3' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -100.05 170.18 8.67 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.599 -179.696 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 68.7 m -133.2 130.88 39.68 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 105.24 -2.133 . . . . 0.0 105.24 179.227 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.492 ' O ' ' HG3' ' A' ' 4' ' ' ARG . 1.1 m -137.74 161.43 33.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 CA-C-N 113.348 -1.751 . . . . 0.0 111.65 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.9 m -107.02 146.1 31.53 Favored 'General case' 0 C--N 1.288 -2.094 0 CA-C-N 111.542 -2.572 . . . . 0.0 104.426 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.414 ' CG ' HD21 ' A' ' 5' ' ' LEU . 1.6 m-85 -131.99 135.15 46.34 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 105.005 -2.221 . . . . 0.0 105.005 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 4.6 t -125.03 112.45 16.56 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 101.834 -3.395 . . . . 0.0 101.834 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 . . . . . 0 N--CA 1.509 2.511 0 CA-C-O 123.691 1.71 . . . . 0.0 109.69 -179.883 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 76.3 m . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 122.258 1.028 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.95 162.0 34.48 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 105.731 -1.951 . . . . 0.0 105.731 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 5' ' ' LEU . 27.9 ttm180 -111.86 149.25 32.08 Favored 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.474 ' N ' HD23 ' A' ' 5' ' ' LEU . 2.2 pt? -147.55 163.09 37.65 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 95.4 m -127.75 137.57 52.48 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 117.669 -1.613 . . . . 0.0 109.693 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 9' ' ' GLN . 41.3 t80 -89.31 74.88 7.81 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? 35.11 13.92 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.364 0 N-CA-C 117.298 2.333 . . . . 0.0 117.298 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -168.38 -47.53 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -90.94 165.53 13.52 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 111.193 -2.73 . . . . 0.0 108.759 -179.869 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 86.8 m -137.65 133.54 34.41 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 126.4 2.312 . . . . 0.0 105.65 179.23 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.459 HG23 ' CD2' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -137.93 179.22 3.61 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 125.57 1.794 . . . . 0.0 109.947 -179.482 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.3 m -121.72 147.27 46.12 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 105.178 -2.156 . . . . 0.0 105.178 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.466 ' CD1' HD21 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -128.14 120.53 27.53 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 103.329 -2.841 . . . . 0.0 103.329 179.718 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 77.4 m -119.53 118.52 31.28 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 101.958 -3.349 . . . . 0.0 101.958 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 . . . . . 0 C--N 1.301 -1.534 0 CA-C-O 122.777 1.275 . . . . 0.0 108.975 179.74 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 81.6 m . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 121.736 0.779 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.07 167.59 21.76 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 113.506 -1.679 . . . . 0.0 108.575 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.3 ttt-85 -105.31 142.03 35.79 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.453 ' N ' HD23 ' A' ' 5' ' ' LEU . 2.4 pt? -144.79 166.48 25.1 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.629 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 71.7 m -130.55 151.28 51.19 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 119.722 -0.791 . . . . 0.0 108.95 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.51 ' HB3' ' HG2' ' A' ' 10' ' ' ARG . 3.8 t80 -97.38 62.09 1.72 Allowed 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 102.522 -3.14 . . . . 0.0 102.522 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? 32.04 51.03 0.18 Allowed 'General case' 0 N--CA 1.503 2.217 0 CA-C-N 113.815 -1.539 . . . . 0.0 112.868 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? 169.81 -62.55 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 CA-C-N 111.415 -2.63 . . . . 0.0 107.727 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.51 ' HG2' ' HB3' ' A' ' 7' ' ' TYR . 14.4 ptt85 -99.95 167.31 10.58 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.16 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.629 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 76.5 m -132.18 137.97 47.83 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 124.157 0.911 . . . . 0.0 112.809 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.421 HG23 ' CD2' ' A' ' 5' ' ' LEU . 1.2 m -136.71 -175.76 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 C-N-CA 126.591 1.956 . . . . 0.0 112.649 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.1 m -126.39 145.67 50.37 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 113.196 -1.82 . . . . 0.0 106.108 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 1.0 OUTLIER -127.03 132.1 50.81 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 104.802 -2.295 . . . . 0.0 104.802 179.701 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 32.9 m -120.21 97.27 5.51 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 125.085 1.49 . . . . 0.0 108.323 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 125.324 2.488 . . . . 0.0 105.699 -179.899 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 71.6 m . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -142.88 158.76 43.3 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 105.1 -2.185 . . . . 0.0 105.1 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.452 ' HG2' ' N ' ' A' ' 5' ' ' LEU . 8.8 ttm180 -102.71 150.74 23.16 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 105.345 -2.094 . . . . 0.0 105.345 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.602 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.1 pt? -151.56 166.79 30.1 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 113.473 -1.694 . . . . 0.0 108.444 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.596 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 72.3 m -130.04 147.02 51.74 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.71 95.24 5.43 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt 69.25 -62.22 0.41 Allowed 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 113.481 -1.69 . . . . 0.0 111.534 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -137.74 -11.68 1.55 Allowed 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 6' ' ' CYS . 8.2 ptp180 -101.87 159.25 15.5 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.596 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 84.0 m -126.53 135.73 51.67 Favored 'General case' 0 C--N 1.291 -1.939 0 O-C-N 124.332 1.02 . . . . 0.0 108.872 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.456 HG23 ' HG ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -136.34 -179.78 3.28 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 CA-C-N 112.121 -2.309 . . . . 0.0 111.298 -179.445 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.2 m -124.14 144.52 49.85 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 112.985 -1.916 . . . . 0.0 107.429 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -128.87 133.01 47.78 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 103.068 -2.938 . . . . 0.0 103.068 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 67.5 m -125.26 116.86 22.63 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 101.379 -3.563 . . . . 0.0 101.379 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 . . . . . 0 C--N 1.295 -1.784 0 CA-C-O 122.918 1.342 . . . . 0.0 109.061 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.737 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 84.5 m -102.24 128.1 48.91 Favored 'General case' 0 C--N 1.286 -2.155 0 CA-C-N 111.625 -2.534 . . . . 0.0 112.914 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -134.45 166.62 22.44 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 104.609 -2.367 . . . . 0.0 104.609 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.1 ttm-85 -108.21 146.18 33.17 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 103.748 -2.686 . . . . 0.0 103.748 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.511 HD23 ' CE1' ' A' ' 14' ' ' TYR . 1.2 tp -140.46 152.28 45.53 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 105.091 -2.188 . . . . 0.0 105.091 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.609 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 90.9 m -125.11 139.69 53.55 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 119.476 -0.889 . . . . 0.0 108.977 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 9' ' ' GLN . 17.3 t80 -97.72 80.11 2.76 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 104.29 -2.485 . . . . 0.0 104.29 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? 25.14 25.59 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.687 0 N-CA-C 118.54 2.793 . . . . 0.0 118.54 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 7' ' ' TYR . 48.2 tt0 -175.34 -47.03 0.01 OUTLIER 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 104.668 -2.345 . . . . 0.0 104.668 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 7' ' ' TYR . 1.4 ttm180 -93.67 163.19 13.64 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 113.079 -1.873 . . . . 0.0 109.231 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.609 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 87.4 m -143.7 127.36 17.08 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 126.133 2.146 . . . . 0.0 108.402 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -141.77 -179.57 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 125.108 1.505 . . . . 0.0 110.803 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.9 m -113.18 145.36 41.09 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 114.331 -1.304 . . . . 0.0 108.289 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.511 ' CE1' HD23 ' A' ' 5' ' ' LEU . 1.3 m-85 -124.31 117.28 24.16 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 66.1 m -118.94 120.07 36.19 Favored 'General case' 0 C--N 1.298 -1.648 1 N-CA-C 99.368 -4.308 . . . . 0.0 99.368 179.445 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -90.62 154.01 19.9 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 123.246 1.498 . . . . 0.0 111.368 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 121.82 171.34 14.02 Favored Glycine 0 N--CA 1.496 2.667 0 CA-C-N 111.866 -2.425 . . . . 0.0 107.282 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -134.03 156.79 47.58 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.661 0 O-C-N 118.876 -2.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . 0.253 . . . . . . . 0 CA--C 1.505 -0.762 0 CA-C-O 123.047 1.403 . . . . 0.0 107.579 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 75.3 m -104.76 131.89 51.66 Favored 'General case' 0 C--N 1.285 -2.197 0 CA-C-N 110.337 -3.12 . . . . 0.0 108.605 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.465 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.4 OUTLIER -135.66 159.5 41.44 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 -179.721 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.465 ' N ' ' HD3' ' A' ' 3' ' ' ARG . 3.1 ttm-85 -107.42 140.08 40.92 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.588 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.6 pt? -146.53 156.59 43.36 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.905 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.601 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 77.4 m -123.33 139.83 53.64 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.548 ' HB3' ' HG2' ' A' ' 10' ' ' ARG . 70.4 t80 -92.11 71.67 5.44 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 102.497 -3.149 . . . . 0.0 102.497 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? 39.93 18.82 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.428 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 3.6 tp-100 -170.27 -47.65 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.548 ' HG2' ' HB3' ' A' ' 7' ' ' TYR . 10.9 ptm180 -99.53 161.14 13.79 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.601 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 93.2 m -133.09 129.66 38.28 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 124.791 1.307 . . . . 0.0 109.037 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 m -134.75 179.01 4.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 CA-C-N 112.971 -1.922 . . . . 0.0 111.978 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.0 m -121.48 139.55 53.34 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 100.887 -3.746 . . . . 0.0 100.887 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -125.72 128.6 48.02 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 101.798 -3.408 . . . . 0.0 101.798 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 84.6 m -120.72 119.35 32.54 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 102.697 -3.075 . . . . 0.0 102.697 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.422 ' HA ' ' HD2' ' A' ' 16' ' ' ARG . 2.9 tpt180 -66.74 157.31 33.09 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-N 113.737 -1.574 . . . . 0.0 109.235 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.0 -95.42 0.35 Allowed Glycine 0 N--CA 1.501 3.027 0 CA-C-N 114.447 -1.251 . . . . 0.0 114.01 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.418 ' HD3' ' O ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -111.6 -24.28 10.19 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.71 -179.666 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.473 0 O-C-N 119.437 -2.039 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.63 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 75.0 m -103.22 130.75 50.52 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 111.712 -2.494 . . . . 0.0 109.223 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.486 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.4 OUTLIER -135.56 155.52 50.35 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 113.037 -1.892 . . . . 0.0 107.036 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.486 ' N ' ' HD3' ' A' ' 3' ' ' ARG . 2.7 ttm-85 -104.76 139.57 39.35 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.52 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -139.75 164.01 31.08 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.952 -179.401 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.601 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 94.4 m -129.48 148.02 51.35 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.457 ' H ' ' HG2' ' A' ' 10' ' ' ARG . 2.6 m-30 -102.15 57.4 0.81 Allowed 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 101.797 -3.408 . . . . 0.0 101.797 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt 67.98 -47.45 0.52 Allowed 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 125.481 1.513 . . . . 0.0 114.824 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -110.54 -36.71 5.68 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-N 114.065 -1.425 . . . . 0.0 109.866 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.457 ' HG2' ' H ' ' A' ' 7' ' ' TYR . 2.6 ptm180 -98.44 165.83 11.66 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.601 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 83.5 m -142.76 123.66 14.33 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 179.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 m -138.17 176.8 6.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-N 112.538 -2.119 . . . . 0.0 111.596 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.5 m -122.1 146.57 47.08 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.412 ' CE1' HD11 ' A' ' 5' ' ' LEU . 3.8 m-30 -127.57 133.98 49.73 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 104.009 -2.589 . . . . 0.0 104.009 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 76.2 m -122.06 115.61 22.8 Favored 'General case' 0 C--N 1.298 -1.655 1 N-CA-C 99.825 -4.139 . . . . 0.0 99.825 179.348 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -61.18 154.59 22.91 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 114.647 -1.161 . . . . 0.0 108.637 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.72 -70.82 0.47 Allowed Glycine 0 N--CA 1.5 2.951 0 N-CA-C 117.882 1.913 . . . . 0.0 117.882 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -123.17 -35.22 3.02 Favored 'General case' 0 N--CA 1.501 2.116 0 CA-C-N 118.045 0.923 . . . . 0.0 113.348 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.581 0 O-C-N 119.006 -2.309 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.638 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.5 m -95.54 118.09 31.61 Favored 'General case' 0 C--N 1.291 -1.955 0 CA-C-N 111.365 -2.652 . . . . 0.0 116.19 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -133.63 171.97 13.38 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 111.47 -2.604 . . . . 0.0 107.591 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.637 ' NH2' ' SG ' ' A' ' 6' ' ' CYS . 14.9 ttp85 -106.56 146.55 30.51 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.452 HD22 ' CD2' ' A' ' 14' ' ' TYR . 0.2 OUTLIER -138.54 159.81 41.14 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 107.175 -1.416 . . . . 0.0 107.175 -179.583 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 97.5 m -131.84 131.95 43.27 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 105.628 -1.99 . . . . 0.0 105.628 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.542 ' HB3' ' HG2' ' A' ' 10' ' ' ARG . 67.8 t80 -90.98 71.73 6.43 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? 41.03 11.24 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 7' ' ' TYR . 54.8 tt0 -158.35 -51.97 0.07 Allowed 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.542 ' HG2' ' HB3' ' A' ' 7' ' ' TYR . 5.5 ptt180 -100.74 166.99 10.6 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 113.775 -1.557 . . . . 0.0 110.27 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 92.8 m -133.78 136.36 44.48 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 124.849 1.343 . . . . 0.0 107.58 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.73 -177.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 CA-C-N 113.425 -1.716 . . . . 0.0 108.04 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -115.32 148.05 39.71 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 106.109 -1.812 . . . . 0.0 106.109 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.452 ' CD2' HD22 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -131.31 127.39 37.6 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 102.464 -3.162 . . . . 0.0 102.464 179.575 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.1 m -119.1 113.63 21.22 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 102.571 -3.122 . . . . 0.0 102.571 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -89.38 138.81 31.11 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 123.137 1.446 . . . . 0.0 108.457 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 133.75 -175.12 20.46 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 104.24 -3.544 . . . . 0.0 104.24 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.55 61.05 0.79 Allowed 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.683 0 O-C-N 118.542 -2.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.701 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 81.5 m -102.6 124.95 49.08 Favored 'General case' 0 C--N 1.285 -2.205 0 CA-C-N 111.936 -2.393 . . . . 0.0 111.387 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.71 158.2 40.04 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 112.31 -2.223 . . . . 0.0 105.645 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.83 137.66 48.2 Favored 'General case' 0 N--CA 1.506 2.361 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.585 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.582 HD21 ' CD1' ' A' ' 14' ' ' TYR . 1.0 OUTLIER -137.15 170.03 16.79 Favored 'General case' 0 N--CA 1.502 2.144 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.417 -179.787 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 90.0 m -129.75 142.14 50.75 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 9' ' ' GLN . 41.9 t80 -97.35 74.17 2.47 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 103.842 -2.651 . . . . 0.0 103.842 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? 36.87 13.98 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 117.862 2.542 . . . . 0.0 117.862 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' TYR . 2.3 mt-30 -157.07 -53.73 0.08 Allowed 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -104.91 175.58 5.44 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.792 -179.521 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 72.2 m -133.36 137.48 45.9 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 125.723 1.889 . . . . 0.0 111.584 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.5 HG23 ' HG ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -140.83 169.39 15.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 CA-C-N 113.452 -1.704 . . . . 0.0 111.691 -179.557 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.6 m -110.51 141.37 43.75 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 103.949 -2.611 . . . . 0.0 103.949 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.582 ' CD1' HD21 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -127.98 123.38 34.65 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 102.063 -3.31 . . . . 0.0 102.063 179.592 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 90.5 m -118.58 120.54 37.79 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 103.257 -2.868 . . . . 0.0 103.257 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -77.45 163.29 26.49 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.43 -177.48 20.69 Favored Glycine 0 N--CA 1.496 2.7 0 CA-C-N 113.77 -1.559 . . . . 0.0 110.713 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.2 mmt85 -123.72 61.91 1.07 Allowed 'General case' 0 N--CA 1.499 1.988 0 CA-C-O 122.409 1.099 . . . . 0.0 110.253 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.741 0 O-C-N 117.961 -2.962 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.889 0 CA-C-O 122.658 1.218 . . . . 0.0 108.686 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 59.1 m -94.91 143.69 26.27 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.432 -1.713 . . . . 0.0 113.054 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.47 171.92 16.29 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -101.37 141.38 34.32 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.477 HD23 ' CE1' ' A' ' 14' ' ' TYR . 16.4 tp -133.22 158.47 42.8 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 104.122 -2.548 . . . . 0.0 104.122 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.61 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 87.0 m -130.83 143.8 50.99 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 119.21 0.914 . . . . 0.0 112.302 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 9' ' ' GLN . 9.7 t80 -101.91 78.32 1.79 Allowed 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt 18.68 34.98 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.32 0 N-CA-C 118.69 2.848 . . . . 0.0 118.69 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.9 OUTLIER 178.04 -40.1 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.185 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -103.07 162.88 12.58 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 110.601 -3.0 . . . . 0.0 108.712 179.831 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.61 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 63.7 m -144.61 133.01 21.91 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 126.664 2.477 . . . . 0.0 106.199 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -146.43 178.18 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 O-C-N 124.845 1.341 . . . . 0.0 108.944 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.7 m -103.82 149.15 25.31 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.477 ' CE1' HD23 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -128.42 128.71 44.96 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 104.698 -2.334 . . . . 0.0 104.698 179.714 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 61.6 m -120.21 112.89 19.63 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 124.812 1.32 . . . . 0.0 110.836 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -89.27 167.49 13.03 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.22 -49.65 0.94 Allowed Glycine 0 N--CA 1.495 2.626 0 N-CA-C 109.001 -1.639 . . . . 0.0 109.001 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 41.49 39.33 1.05 Allowed 'General case' 0 N--CA 1.503 2.204 0 O-C-N 125.463 1.331 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.476 0 O-C-N 118.858 -2.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.775 0 N-CA-C 103.33 -2.841 . . . . 0.0 103.33 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 75.2 m -115.13 134.56 55.05 Favored 'General case' 0 C--N 1.291 -1.962 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.0 171.57 14.24 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -105.01 146.98 28.3 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 104.646 -2.353 . . . . 0.0 104.646 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.436 HD23 ' CD1' ' A' ' 14' ' ' TYR . 6.8 tp -142.06 161.39 38.11 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 103.627 -2.731 . . . . 0.0 103.627 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.6 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 93.5 m -132.6 146.97 52.31 Favored 'General case' 0 N--CA 1.5 2.063 0 CA-C-N 119.849 1.204 . . . . 0.0 113.836 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' GLN . 33.0 t80 -102.98 79.24 1.74 Allowed 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt 16.41 40.52 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.412 0 N-CA-C 118.998 2.962 . . . . 0.0 118.998 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 7' ' ' TYR . 50.8 tt0 172.19 -39.32 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.2 0 N-CA-C 104.724 -2.325 . . . . 0.0 104.724 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -107.52 166.57 10.57 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 112.973 -1.921 . . . . 0.0 109.035 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.6 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 58.2 m -140.5 135.85 32.34 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.42 179.3 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 125.06 1.475 . . . . 0.0 107.745 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.8 m -110.81 149.83 30.0 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.436 ' CD1' HD23 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -135.43 121.2 19.64 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 104.135 -2.543 . . . . 0.0 104.135 179.595 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 97.9 m -114.16 135.49 53.98 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 101.728 -3.434 . . . . 0.0 101.728 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.558 ' HG2' ' N ' ' A' ' 17' ' ' GLY . 21.7 ttt180 -99.08 157.99 15.97 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-N 112.916 -1.947 . . . . 0.0 107.877 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.558 ' N ' ' HG2' ' A' ' 16' ' ' ARG . . . 163.05 170.48 27.99 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 106.848 -2.501 . . . . 0.0 106.848 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.35 67.77 0.94 Allowed 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 105.569 -2.011 . . . . 0.0 105.569 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.706 0 O-C-N 118.092 -2.88 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.67 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 78.2 m -86.72 134.63 33.57 Favored 'General case' 0 C--N 1.288 -2.067 0 CA-C-N 111.997 -2.365 . . . . 0.0 111.807 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.77 164.64 29.65 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 103.763 -2.68 . . . . 0.0 103.763 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 12' ' ' VAL . 24.0 ttm-85 -110.82 145.24 38.54 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 119.23 -0.988 . . . . 0.0 108.484 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.493 HD23 ' CE1' ' A' ' 14' ' ' TYR . 0.2 OUTLIER -141.35 150.67 42.75 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 93.1 m -120.56 148.3 44.05 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 9' ' ' GLN . 1.1 t80 -99.05 62.9 1.31 Allowed 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 102.98 -2.97 . . . . 0.0 102.98 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? 39.54 9.77 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 117.145 2.276 . . . . 0.0 117.145 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 7' ' ' TYR . 41.2 tt0 -144.81 -52.84 0.3 Allowed 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 105.82 -1.919 . . . . 0.0 105.82 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.535 ' CZ ' HG13 ' A' ' 12' ' ' VAL . 7.3 ptm180 -109.02 177.82 4.65 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 113.018 -1.901 . . . . 0.0 111.15 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 78.1 m -137.63 145.94 43.33 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 125.63 1.831 . . . . 0.0 110.314 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.535 HG13 ' CZ ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -142.09 177.48 3.1 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 O-C-N 126.234 2.209 . . . . 0.0 107.832 179.758 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.3 m -118.37 145.08 45.43 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 104.597 -2.371 . . . . 0.0 104.597 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.493 ' CE1' HD23 ' A' ' 5' ' ' LEU . 1.1 m-85 -125.16 127.09 46.29 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 101.881 -3.378 . . . . 0.0 101.881 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 73.3 m -125.32 105.69 9.29 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 104.972 -2.232 . . . . 0.0 104.972 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -80.66 153.43 27.92 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 117.172 -1.811 . . . . 0.0 108.628 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 136.01 -165.02 24.98 Favored Glycine 0 C--N 1.296 -1.679 1 N-CA-C 100.852 -4.899 . . . . 0.0 100.852 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.78 64.68 0.8 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.738 0 O-C-N 118.938 -2.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.645 0 CA-C-O 122.157 0.98 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 79.1 m -91.94 118.95 31.24 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 111.22 -2.718 . . . . 0.0 112.154 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.8 ptm85 -132.12 168.54 17.82 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 111.022 -2.808 . . . . 0.0 109.074 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -112.02 156.5 22.07 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.504 ' N ' HD23 ' A' ' 5' ' ' LEU . 2.1 pt? -154.48 162.74 40.99 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 124.325 1.015 . . . . 0.0 108.311 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.663 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 97.2 m -129.68 139.17 51.45 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.464 ' HB2' ' HE ' ' A' ' 10' ' ' ARG . 45.2 t80 -97.21 71.48 2.4 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 116.96 -1.896 . . . . 0.0 107.905 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HE3' ' HB2' ' A' ' 8' ' ' LYS . 24.0 mtmt 43.29 14.57 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.15 0 CA-C-N 110.663 -2.972 . . . . 0.0 115.665 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -161.58 -55.49 0.05 OUTLIER 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 105.915 -1.883 . . . . 0.0 105.915 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.464 ' HE ' ' HB2' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -99.34 174.42 6.3 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 113.902 -1.499 . . . . 0.0 111.817 -179.355 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.663 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 82.3 m -135.81 138.62 42.75 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 125.568 1.792 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.493 HG23 ' HG ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -143.64 179.45 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 125.124 1.515 . . . . 0.0 109.368 -179.548 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.1 m -118.73 148.54 42.68 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 105.094 -2.188 . . . . 0.0 105.094 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.436 ' CD1' HD21 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -130.24 126.77 38.14 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 102.597 -3.112 . . . . 0.0 102.597 179.628 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 59.3 m -120.18 111.22 17.56 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 101.67 -3.455 . . . . 0.0 101.67 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 -85.44 154.71 21.64 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 116.617 -2.033 . . . . 0.0 106.796 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 136.16 -155.81 22.63 Favored Glycine 0 N--CA 1.484 1.85 1 N-CA-C 101.045 -4.822 . . . . 0.0 101.045 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -123.86 170.94 10.06 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.696 0 O-C-N 118.619 -2.551 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 77.5 m -105.48 132.58 51.47 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 114.23 -1.35 . . . . 0.0 111.374 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.464 ' C ' ' HD3' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -135.25 170.22 16.26 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 112.515 -2.13 . . . . 0.0 109.238 -179.716 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -109.08 153.95 22.96 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.489 HD23 ' CE1' ' A' ' 14' ' ' TYR . 2.0 tp -146.44 150.84 36.39 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 88.4 m -125.3 142.07 51.71 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 9' ' ' GLN . 24.5 t80 -101.3 65.28 1.05 Allowed 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 118.1 -1.44 . . . . 0.0 109.044 -179.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? 38.68 12.85 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.325 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 7' ' ' TYR . 14.6 mm-40 -149.59 -51.83 0.15 Allowed 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.411 HH11 HG11 ' A' ' 12' ' ' VAL . 2.2 ptt180 -113.38 177.3 4.68 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.862 -1.063 . . . . 0.0 112.871 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 87.6 m -139.14 133.0 30.88 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 125.946 2.029 . . . . 0.0 107.404 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.411 HG11 HH11 ' A' ' 10' ' ' ARG . 0.0 OUTLIER -141.85 177.85 2.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 125.368 1.667 . . . . 0.0 108.365 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.7 m -112.14 155.41 23.95 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.891 -1.049 . . . . 0.0 108.547 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.489 ' CE1' HD23 ' A' ' 5' ' ' LEU . 2.2 m-85 -136.86 127.55 27.11 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 104.176 -2.527 . . . . 0.0 104.176 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 91.8 m -123.69 125.08 44.14 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 102.824 -3.028 . . . . 0.0 102.824 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -68.6 170.39 9.32 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.76 -62.74 1.92 Allowed Glycine 0 N--CA 1.503 3.101 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.859 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 12.13 57.46 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.307 0 N-CA-C 115.691 1.738 . . . . 0.0 115.691 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.525 0 O-C-N 117.62 -3.175 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 73.2 m -106.71 142.33 36.53 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-N 113.256 -1.793 . . . . 0.0 113.648 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.98 158.58 43.47 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 113.173 -1.831 . . . . 0.0 107.015 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -105.09 155.79 18.68 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.629 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -160.85 166.71 28.07 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.68 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 73.2 m -132.22 145.84 51.6 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.431 ' CE1' ' CE ' ' A' ' 8' ' ' LYS . 44.4 t80 -108.06 87.89 2.6 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 103.358 -2.83 . . . . 0.0 103.358 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.431 ' CE ' ' CE1' ' A' ' 7' ' ' TYR . 22.0 mtmt 21.99 73.76 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.948 0 O-C-N 126.141 2.151 . . . . 0.0 112.266 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 129.05 -55.12 0.01 OUTLIER 'General case' 0 N--CA 1.517 2.879 0 O-C-N 126.953 2.658 . . . . 0.0 112.5 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 7' ' ' TYR . 2.8 ptm180 -92.83 156.28 17.09 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.054 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 87.6 m -128.2 131.37 48.86 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 m -135.73 -177.21 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 CA-C-N 112.5 -2.136 . . . . 0.0 111.832 -179.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.5 m -127.06 144.55 51.0 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 103.758 -2.682 . . . . 0.0 103.758 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.421 ' CD1' HD21 ' A' ' 5' ' ' LEU . 2.0 m-85 -130.2 128.73 42.28 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 102.929 -2.989 . . . . 0.0 102.929 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 93.3 m -124.13 133.35 53.61 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 102.852 -3.018 . . . . 0.0 102.852 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.69 160.57 17.28 Favored 'General case' 0 C--N 1.284 -2.265 0 CA-C-N 112.408 -2.178 . . . . 0.0 109.081 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' A' ' 18' ' ' ARG . . . 115.75 58.53 0.34 Allowed Glycine 0 N--CA 1.503 3.146 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.185 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 33.2 ttt85 74.49 -54.29 0.67 Allowed 'General case' 0 N--CA 1.502 2.134 0 CA-C-O 121.361 0.601 . . . . 0.0 109.46 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.682 0 O-C-N 119.304 -2.123 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.247 0 N-CA-C 102.874 -3.009 . . . . 0.0 102.874 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.4 m -107.24 137.85 44.53 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-O 122.991 1.377 . . . . 0.0 114.441 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.09 159.22 40.72 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 112.157 -2.292 . . . . 0.0 105.057 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 ttt85 -111.11 141.46 44.58 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 5' ' ' LEU . 2.5 pt? -146.35 171.54 14.85 Favored 'General case' 0 N--CA 1.503 2.204 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.639 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 84.4 m -132.79 154.66 50.05 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.402 -1.332 . . . . 0.0 107.402 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -106.78 61.76 0.63 Allowed 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt 30.43 42.75 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.611 0 CA-C-N 113.535 -1.666 . . . . 0.0 113.962 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -176.64 -64.12 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 110.09 -3.232 . . . . 0.0 107.026 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -102.82 172.48 6.81 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.098 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.639 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 90.6 m -132.35 135.71 46.35 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.427 HG23 ' CD2' ' A' ' 5' ' ' LEU . 2.4 m -137.5 178.03 5.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 CA-C-N 112.886 -1.961 . . . . 0.0 111.623 -179.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.5 m -119.25 140.53 50.09 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 101.245 -3.613 . . . . 0.0 101.245 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.443 ' HB2' HD22 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -127.4 124.61 38.92 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 103.416 -2.809 . . . . 0.0 103.416 179.722 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.5 m -121.49 121.1 36.76 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 100.699 -3.815 . . . . 0.0 100.699 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 17' ' ' GLY . 33.5 ttm-85 -88.23 166.88 14.04 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 118.242 -1.383 . . . . 0.0 107.553 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.424 ' N ' ' CG ' ' A' ' 16' ' ' ARG . . . 138.79 -90.78 0.2 Allowed Glycine 0 N--CA 1.489 2.208 0 N-CA-C 105.381 -3.088 . . . . 0.0 105.381 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.6 ttt180 -129.02 -45.02 1.27 Allowed 'General case' 0 N--CA 1.494 1.749 0 CA-C-O 121.898 0.856 . . . . 0.0 109.138 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.56 0 O-C-N 118.721 -2.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.69 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 82.5 m -98.44 139.93 33.44 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 113.149 -1.841 . . . . 0.0 112.969 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.34 159.23 42.64 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 113.127 -1.851 . . . . 0.0 106.282 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -107.75 143.49 36.21 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.462 ' H ' HD23 ' A' ' 5' ' ' LEU . 2.2 pt? -143.04 170.2 16.16 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 124.591 1.182 . . . . 0.0 109.557 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.642 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 83.1 m -134.82 145.89 48.78 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.409 ' N ' ' O ' ' A' ' 10' ' ' ARG . 50.8 t80 -101.06 74.47 1.6 Allowed 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt 41.81 23.62 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 CA-C-N 110.941 -2.845 . . . . 0.0 114.994 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -173.77 -50.62 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 122.362 1.077 . . . . 0.0 109.813 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' A' ' 6' ' ' CYS . 3.7 ptm180 -101.61 162.64 12.76 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.411 -1.268 . . . . 0.0 109.025 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.642 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 97.5 m -127.5 137.24 52.6 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 124.808 1.317 . . . . 0.0 109.423 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.99 -179.77 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-N 113.46 -1.7 . . . . 0.0 111.253 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.9 m -118.98 144.14 46.65 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 112.164 -2.289 . . . . 0.0 105.792 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.461 ' CD1' HD21 ' A' ' 5' ' ' LEU . 1.1 m-85 -129.49 130.1 45.4 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 102.283 -3.228 . . . . 0.0 102.283 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 84.5 m -123.27 118.76 28.31 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 103.964 -2.606 . . . . 0.0 103.964 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -74.8 155.9 37.09 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 105.087 -2.19 . . . . 0.0 105.087 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.18 -172.82 14.53 Favored Glycine 0 N--CA 1.496 2.67 0 N-CA-C 108.071 -2.012 . . . . 0.0 108.071 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.8 mmm-85 -129.25 159.57 35.7 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.659 0 O-C-N 118.464 -2.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 64.5 m -108.67 136.89 47.5 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-N 114.406 -1.27 . . . . 0.0 113.323 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -129.85 163.11 27.02 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 105.344 -2.095 . . . . 0.0 105.344 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -110.53 139.75 45.47 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 102.091 -3.3 . . . . 0.0 102.091 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.8 tp -137.43 161.08 37.3 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.645 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 83.1 m -130.44 142.49 50.5 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-N 118.824 0.738 . . . . 0.0 110.566 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -105.33 83.01 1.9 Allowed 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 101.612 -3.477 . . . . 0.0 101.612 -179.707 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt 0.72 76.88 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 O-C-N 126.859 2.6 . . . . 0.0 112.886 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 148.62 -46.87 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.224 0 O-C-N 128.023 3.327 . . . . 0.0 106.025 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 7' ' ' TYR . 9.6 ptp180 -117.66 169.75 9.32 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.645 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 91.2 m -137.14 136.59 38.39 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 125.215 1.572 . . . . 0.0 108.615 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.08 176.59 3.15 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 O-C-N 125.216 1.573 . . . . 0.0 110.048 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.5 m -114.75 148.44 38.35 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -124.72 111.67 15.84 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 112.053 -2.339 . . . . 0.0 110.107 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 87.5 m -114.13 123.54 49.87 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 103.368 -2.827 . . . . 0.0 103.368 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -76.07 171.42 14.5 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 113.416 -1.72 . . . . 0.0 107.887 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.12 -96.36 0.5 Allowed Glycine 0 N--CA 1.494 2.537 0 N-CA-C 106.573 -2.611 . . . . 0.0 106.573 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.11 46.78 2.57 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.535 0 O-C-N 119.054 -2.279 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 83.8 m -98.03 138.43 35.35 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 114.191 -1.368 . . . . 0.0 111.503 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.16 160.52 39.61 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 104.201 -2.518 . . . . 0.0 104.201 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -110.9 148.62 32.08 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.282 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.548 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.3 pt? -149.02 169.58 20.31 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 113.894 -1.503 . . . . 0.0 108.284 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.69 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 98.1 m -132.05 142.39 49.53 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 104.233 -2.506 . . . . 0.0 104.233 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 9' ' ' GLN . 67.3 t80 -99.32 78.26 2.2 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 102.455 -3.165 . . . . 0.0 102.455 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? 37.66 7.58 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 110.652 -2.976 . . . . 0.0 118.415 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -157.3 -45.98 0.07 Allowed 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.411 ' HG2' ' HB3' ' A' ' 7' ' ' TYR . 7.8 ptp180 -102.11 165.52 11.11 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.362 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.69 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 89.8 m -129.25 132.11 47.15 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 125.061 1.476 . . . . 0.0 108.925 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.417 HG23 ' HG ' ' A' ' 5' ' ' LEU . 2.9 m -137.67 176.41 7.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 CA-C-N 113.69 -1.596 . . . . 0.0 111.656 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.3 m -117.03 143.15 46.07 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 111.438 -2.619 . . . . 0.0 104.738 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.49 ' CD1' HD21 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -129.14 131.14 47.16 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 102.42 -3.178 . . . . 0.0 102.42 179.542 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 91.6 m -125.37 121.65 34.53 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -79.11 -178.74 6.31 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 103.555 -2.758 . . . . 0.0 103.555 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' NH2 . . . 118.18 -60.92 0.46 Allowed Glycine 0 N--CA 1.505 3.266 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.572 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -9.53 63.62 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.351 0 N-CA-C 118.273 2.694 . . . . 0.0 118.273 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' GLY . . . . . . . . 0 C--N 1.298 -1.635 0 O-C-N 116.86 -3.65 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.626 0 CA-C-O 122.657 1.218 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 94.4 m -103.66 118.5 36.87 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-N 110.702 -2.953 . . . . 0.0 108.565 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.54 168.19 20.38 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 113.029 -1.896 . . . . 0.0 105.978 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -101.86 141.83 34.1 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.466 HD23 ' CE1' ' A' ' 14' ' ' TYR . 8.7 tp -137.33 160.46 39.01 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 73.9 m -130.73 161.78 30.92 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.497 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -127.71 101.36 6.35 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 104.26 -2.496 . . . . 0.0 104.26 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.469 ' HB2' ' NE2' ' A' ' 9' ' ' GLN . 2.4 mtpt 68.1 -67.66 0.19 Allowed 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.469 ' NE2' ' HB2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -141.49 -10.28 0.94 Allowed 'General case' 0 C--N 1.294 -1.836 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.644 179.816 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 12.5 ptm180 -96.85 159.14 15.09 Favored 'General case' 0 C--O 1.203 -1.377 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 90.6 m -134.94 141.44 46.28 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 124.524 1.14 . . . . 0.0 109.851 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.62 177.82 2.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 125.84 1.962 . . . . 0.0 109.727 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.5 m -111.44 145.11 39.56 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.466 ' CE1' HD23 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -124.65 123.7 40.62 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 103.164 -2.902 . . . . 0.0 103.164 179.665 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 43.4 m -125.27 118.32 25.73 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 102.849 -3.019 . . . . 0.0 102.849 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -82.15 156.19 24.61 Favored 'General case' 0 N--CA 1.503 2.204 0 C-N-CA 118.263 -1.375 . . . . 0.0 111.031 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.18 -70.83 0.51 Allowed Glycine 0 N--CA 1.501 3.018 0 CA-C-N 115.004 -0.998 . . . . 0.0 114.459 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.86 -170.16 3.51 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.579 0 O-C-N 118.138 -2.851 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 61.8 m -82.18 117.66 22.49 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-N 113.0 -1.909 . . . . 0.0 111.22 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.91 164.78 26.82 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 105.087 -2.19 . . . . 0.0 105.087 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 12' ' ' VAL . 32.4 ttm180 -119.72 145.75 46.25 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 119.669 -0.813 . . . . 0.0 110.718 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.414 HD21 ' CG ' ' A' ' 14' ' ' TYR . 0.7 OUTLIER -142.91 171.66 13.76 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 125.197 1.561 . . . . 0.0 108.364 -179.749 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 97.4 m -129.12 143.87 51.01 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.448 -0.901 . . . . 0.0 111.794 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.469 ' HB3' ' HG2' ' A' ' 10' ' ' ARG . 24.5 t80 -98.9 81.1 2.58 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt 17.5 44.73 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.365 0 O-C-N 126.302 2.251 . . . . 0.0 115.807 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' TYR . 37.7 tt0 170.55 -53.06 0.01 OUTLIER 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 112.463 -2.153 . . . . 0.0 105.958 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.469 ' HG2' ' HB3' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -100.05 170.18 8.67 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.599 -179.696 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 68.7 m -133.2 130.88 39.68 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 105.24 -2.133 . . . . 0.0 105.24 179.227 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.492 ' O ' ' HG3' ' A' ' 4' ' ' ARG . 1.1 m -137.74 161.43 33.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 CA-C-N 113.348 -1.751 . . . . 0.0 111.65 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.9 m -107.02 146.1 31.53 Favored 'General case' 0 C--N 1.288 -2.094 0 CA-C-N 111.542 -2.572 . . . . 0.0 104.426 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.414 ' CG ' HD21 ' A' ' 5' ' ' LEU . 1.6 m-85 -131.99 135.15 46.34 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 105.005 -2.221 . . . . 0.0 105.005 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 4.6 t -125.03 112.45 16.56 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 101.834 -3.395 . . . . 0.0 101.834 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -99.28 26.4 6.01 Favored 'General case' 0 N--CA 1.509 2.511 0 CA-C-O 123.691 1.71 . . . . 0.0 109.69 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -134.58 49.29 0.91 Allowed Glycine 0 N--CA 1.497 2.76 0 CA-C-N 110.767 -2.924 . . . . 0.0 107.599 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -114.33 66.4 0.67 Allowed 'General case' 0 N--CA 1.501 2.107 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.716 0 O-C-N 118.729 -2.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . 0.255 . . . . . . . 0 C--O 1.216 -0.69 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 76.3 m -99.38 135.99 39.98 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-N 112.931 -1.941 . . . . 0.0 110.427 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.95 162.0 34.48 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 105.731 -1.951 . . . . 0.0 105.731 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 5' ' ' LEU . 27.9 ttm180 -111.86 149.25 32.08 Favored 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.474 ' N ' HD23 ' A' ' 5' ' ' LEU . 2.2 pt? -147.55 163.09 37.65 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 95.4 m -127.75 137.57 52.48 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 117.669 -1.613 . . . . 0.0 109.693 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 9' ' ' GLN . 41.3 t80 -89.31 74.88 7.81 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? 35.11 13.92 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.364 0 N-CA-C 117.298 2.333 . . . . 0.0 117.298 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -168.38 -47.53 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -90.94 165.53 13.52 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 111.193 -2.73 . . . . 0.0 108.759 -179.869 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 86.8 m -137.65 133.54 34.41 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 126.4 2.312 . . . . 0.0 105.65 179.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.459 HG23 ' CD2' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -137.93 179.22 3.61 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 125.57 1.794 . . . . 0.0 109.947 -179.482 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.3 m -121.72 147.27 46.12 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 105.178 -2.156 . . . . 0.0 105.178 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.466 ' CD1' HD21 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -128.14 120.53 27.53 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 103.329 -2.841 . . . . 0.0 103.329 179.718 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 77.4 m -119.53 118.52 31.28 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 101.958 -3.349 . . . . 0.0 101.958 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -102.29 23.7 11.35 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 122.777 1.275 . . . . 0.0 108.975 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -135.9 161.11 24.79 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 107.584 -2.206 . . . . 0.0 107.584 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -124.84 161.48 26.42 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.559 0 O-C-N 118.598 -2.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.575 0 CA-C-O 123.889 1.804 . . . . 0.0 107.651 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 81.6 m -91.18 125.91 36.11 Favored 'General case' 0 C--N 1.281 -2.412 0 CA-C-N 110.188 -3.187 . . . . 0.0 109.547 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.07 167.59 21.76 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 113.506 -1.679 . . . . 0.0 108.575 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.3 ttt-85 -105.31 142.03 35.79 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.453 ' N ' HD23 ' A' ' 5' ' ' LEU . 2.4 pt? -144.79 166.48 25.1 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.629 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 71.7 m -130.55 151.28 51.19 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 119.722 -0.791 . . . . 0.0 108.95 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.51 ' HB3' ' HG2' ' A' ' 10' ' ' ARG . 3.8 t80 -97.38 62.09 1.72 Allowed 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 102.522 -3.14 . . . . 0.0 102.522 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? 32.04 51.03 0.18 Allowed 'General case' 0 N--CA 1.503 2.217 0 CA-C-N 113.815 -1.539 . . . . 0.0 112.868 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? 169.81 -62.55 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 CA-C-N 111.415 -2.63 . . . . 0.0 107.727 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.51 ' HG2' ' HB3' ' A' ' 7' ' ' TYR . 14.4 ptt85 -99.95 167.31 10.58 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.16 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.629 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 76.5 m -132.18 137.97 47.83 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 124.157 0.911 . . . . 0.0 112.809 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.421 HG23 ' CD2' ' A' ' 5' ' ' LEU . 1.2 m -136.71 -175.76 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 C-N-CA 126.591 1.956 . . . . 0.0 112.649 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.1 m -126.39 145.67 50.37 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 113.196 -1.82 . . . . 0.0 106.108 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 1.0 OUTLIER -127.03 132.1 50.81 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 104.802 -2.295 . . . . 0.0 104.802 179.701 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 32.9 m -120.21 97.27 5.51 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 125.085 1.49 . . . . 0.0 108.323 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -90.61 64.15 5.65 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 125.324 2.488 . . . . 0.0 105.699 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 166.07 -178.41 40.72 Favored Glycine 0 N--CA 1.492 2.395 1 CA-C-N 108.141 -4.118 . . . . 0.0 109.476 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 122.28 56.21 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.637 0 N-CA-C 104.458 -2.423 . . . . 0.0 104.458 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.637 0 O-C-N 118.499 -2.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . 0.25 . . . . . . . 0 C--O 1.217 -0.61 0 CA-C-O 122.316 1.055 . . . . 0.0 108.884 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 71.6 m -104.27 135.67 45.3 Favored 'General case' 0 C--N 1.288 -2.094 0 CA-C-N 112.092 -2.322 . . . . 0.0 108.178 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -142.88 158.76 43.3 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 105.1 -2.185 . . . . 0.0 105.1 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.452 ' HG2' ' N ' ' A' ' 5' ' ' LEU . 8.8 ttm180 -102.71 150.74 23.16 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 105.345 -2.094 . . . . 0.0 105.345 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.602 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.1 pt? -151.56 166.79 30.1 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 113.473 -1.694 . . . . 0.0 108.444 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.596 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 72.3 m -130.04 147.02 51.74 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.71 95.24 5.43 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt 69.25 -62.22 0.41 Allowed 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 113.481 -1.69 . . . . 0.0 111.534 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -137.74 -11.68 1.55 Allowed 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 6' ' ' CYS . 8.2 ptp180 -101.87 159.25 15.5 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.596 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 84.0 m -126.53 135.73 51.67 Favored 'General case' 0 C--N 1.291 -1.939 0 O-C-N 124.332 1.02 . . . . 0.0 108.872 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.456 HG23 ' HG ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -136.34 -179.78 3.28 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 CA-C-N 112.121 -2.309 . . . . 0.0 111.298 -179.445 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.2 m -124.14 144.52 49.85 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 112.985 -1.916 . . . . 0.0 107.429 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -128.87 133.01 47.78 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 103.068 -2.938 . . . . 0.0 103.068 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 67.5 m -125.26 116.86 22.63 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 101.379 -3.563 . . . . 0.0 101.379 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -66.3 162.37 20.31 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 122.918 1.342 . . . . 0.0 109.061 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 137.7 -93.68 0.21 Allowed Glycine 0 N--CA 1.492 2.417 0 CA-C-N 113.43 -1.714 . . . . 0.0 109.32 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -130.34 -176.6 4.01 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.626 0 O-C-N 118.573 -2.579 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 84.5 m . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 122.062 0.934 . . . . 0.0 112.914 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -134.45 166.62 22.44 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 104.609 -2.367 . . . . 0.0 104.609 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.1 ttm-85 -108.21 146.18 33.17 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 103.748 -2.686 . . . . 0.0 103.748 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.511 HD23 ' CE1' ' A' ' 14' ' ' TYR . 1.2 tp -140.46 152.28 45.53 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 105.091 -2.188 . . . . 0.0 105.091 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.609 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 90.9 m -125.11 139.69 53.55 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 119.476 -0.889 . . . . 0.0 108.977 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 9' ' ' GLN . 17.3 t80 -97.72 80.11 2.76 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 104.29 -2.485 . . . . 0.0 104.29 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? 25.14 25.59 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.687 0 N-CA-C 118.54 2.793 . . . . 0.0 118.54 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 7' ' ' TYR . 48.2 tt0 -175.34 -47.03 0.01 OUTLIER 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 104.668 -2.345 . . . . 0.0 104.668 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 7' ' ' TYR . 1.4 ttm180 -93.67 163.19 13.64 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 113.079 -1.873 . . . . 0.0 109.231 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.609 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 87.4 m -143.7 127.36 17.08 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 126.133 2.146 . . . . 0.0 108.402 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -141.77 -179.57 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 125.108 1.505 . . . . 0.0 110.803 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.9 m -113.18 145.36 41.09 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 114.331 -1.304 . . . . 0.0 108.289 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.511 ' CE1' HD23 ' A' ' 5' ' ' LEU . 1.3 m-85 -124.31 117.28 24.16 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 66.1 m -118.94 120.07 36.19 Favored 'General case' 0 C--N 1.298 -1.648 1 N-CA-C 99.368 -4.308 . . . . 0.0 99.368 179.445 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 . . . . . 0 C--N 1.298 -1.655 0 CA-C-O 123.246 1.498 . . . . 0.0 111.368 -179.914 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 75.3 m . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.465 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.4 OUTLIER -135.66 159.5 41.44 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 -179.721 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.465 ' N ' ' HD3' ' A' ' 3' ' ' ARG . 3.1 ttm-85 -107.42 140.08 40.92 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.588 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.6 pt? -146.53 156.59 43.36 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.905 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.601 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 77.4 m -123.33 139.83 53.64 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.548 ' HB3' ' HG2' ' A' ' 10' ' ' ARG . 70.4 t80 -92.11 71.67 5.44 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 102.497 -3.149 . . . . 0.0 102.497 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? 39.93 18.82 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.428 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 3.6 tp-100 -170.27 -47.65 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.548 ' HG2' ' HB3' ' A' ' 7' ' ' TYR . 10.9 ptm180 -99.53 161.14 13.79 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.601 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 93.2 m -133.09 129.66 38.28 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 124.791 1.307 . . . . 0.0 109.037 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 m -134.75 179.01 4.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 CA-C-N 112.971 -1.922 . . . . 0.0 111.978 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.0 m -121.48 139.55 53.34 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 100.887 -3.746 . . . . 0.0 100.887 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -125.72 128.6 48.02 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 101.798 -3.408 . . . . 0.0 101.798 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 84.6 m -120.72 119.35 32.54 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 102.697 -3.075 . . . . 0.0 102.697 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.422 ' HA ' ' HD2' ' A' ' 16' ' ' ARG . 2.9 tpt180 . . . . . 0 C--N 1.294 -1.818 0 CA-C-N 113.737 -1.574 . . . . 0.0 109.235 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 75.0 m . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 121.877 0.846 . . . . 0.0 109.223 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.486 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.4 OUTLIER -135.56 155.52 50.35 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 113.037 -1.892 . . . . 0.0 107.036 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.486 ' N ' ' HD3' ' A' ' 3' ' ' ARG . 2.7 ttm-85 -104.76 139.57 39.35 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.52 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -139.75 164.01 31.08 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.952 -179.401 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.601 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 94.4 m -129.48 148.02 51.35 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.457 ' H ' ' HG2' ' A' ' 10' ' ' ARG . 2.6 m-30 -102.15 57.4 0.81 Allowed 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 101.797 -3.408 . . . . 0.0 101.797 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt 67.98 -47.45 0.52 Allowed 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 125.481 1.513 . . . . 0.0 114.824 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -110.54 -36.71 5.68 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-N 114.065 -1.425 . . . . 0.0 109.866 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.457 ' HG2' ' H ' ' A' ' 7' ' ' TYR . 2.6 ptm180 -98.44 165.83 11.66 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.601 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 83.5 m -142.76 123.66 14.33 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 179.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 m -138.17 176.8 6.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-N 112.538 -2.119 . . . . 0.0 111.596 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.5 m -122.1 146.57 47.08 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.412 ' CE1' HD11 ' A' ' 5' ' ' LEU . 3.8 m-30 -127.57 133.98 49.73 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 104.009 -2.589 . . . . 0.0 104.009 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 76.2 m -122.06 115.61 22.8 Favored 'General case' 0 C--N 1.298 -1.655 1 N-CA-C 99.825 -4.139 . . . . 0.0 99.825 179.348 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 . . . . . 0 C--N 1.298 -1.662 0 CA-C-N 114.647 -1.161 . . . . 0.0 108.637 -179.887 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.5 m . . . . . 0 N--CA 1.484 1.247 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -133.63 171.97 13.38 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 111.47 -2.604 . . . . 0.0 107.591 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.637 ' NH2' ' SG ' ' A' ' 6' ' ' CYS . 14.9 ttp85 -106.56 146.55 30.51 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.452 HD22 ' CD2' ' A' ' 14' ' ' TYR . 0.2 OUTLIER -138.54 159.81 41.14 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 107.175 -1.416 . . . . 0.0 107.175 -179.583 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 97.5 m -131.84 131.95 43.27 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 105.628 -1.99 . . . . 0.0 105.628 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.542 ' HB3' ' HG2' ' A' ' 10' ' ' ARG . 67.8 t80 -90.98 71.73 6.43 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? 41.03 11.24 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 7' ' ' TYR . 54.8 tt0 -158.35 -51.97 0.07 Allowed 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.542 ' HG2' ' HB3' ' A' ' 7' ' ' TYR . 5.5 ptt180 -100.74 166.99 10.6 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 113.775 -1.557 . . . . 0.0 110.27 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 92.8 m -133.78 136.36 44.48 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 124.849 1.343 . . . . 0.0 107.58 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.73 -177.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 CA-C-N 113.425 -1.716 . . . . 0.0 108.04 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -115.32 148.05 39.71 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 106.109 -1.812 . . . . 0.0 106.109 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.452 ' CD2' HD22 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -131.31 127.39 37.6 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 102.464 -3.162 . . . . 0.0 102.464 179.575 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.1 m -119.1 113.63 21.22 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 102.571 -3.122 . . . . 0.0 102.571 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 123.137 1.446 . . . . 0.0 108.457 179.877 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 81.5 m . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 122.315 1.055 . . . . 0.0 111.387 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.71 158.2 40.04 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 112.31 -2.223 . . . . 0.0 105.645 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.83 137.66 48.2 Favored 'General case' 0 N--CA 1.506 2.361 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.585 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.582 HD21 ' CD1' ' A' ' 14' ' ' TYR . 1.0 OUTLIER -137.15 170.03 16.79 Favored 'General case' 0 N--CA 1.502 2.144 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.417 -179.787 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 90.0 m -129.75 142.14 50.75 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 9' ' ' GLN . 41.9 t80 -97.35 74.17 2.47 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 103.842 -2.651 . . . . 0.0 103.842 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? 36.87 13.98 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 117.862 2.542 . . . . 0.0 117.862 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' TYR . 2.3 mt-30 -157.07 -53.73 0.08 Allowed 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -104.91 175.58 5.44 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.792 -179.521 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 72.2 m -133.36 137.48 45.9 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 125.723 1.889 . . . . 0.0 111.584 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.5 HG23 ' HG ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -140.83 169.39 15.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 CA-C-N 113.452 -1.704 . . . . 0.0 111.691 -179.557 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.6 m -110.51 141.37 43.75 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 103.949 -2.611 . . . . 0.0 103.949 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.582 ' CD1' HD21 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -127.98 123.38 34.65 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 102.063 -3.31 . . . . 0.0 102.063 179.592 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 90.5 m -118.58 120.54 37.79 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 103.257 -2.868 . . . . 0.0 103.257 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 . . . . . 0 C--N 1.292 -1.916 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 179.76 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 59.1 m . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 122.04 0.924 . . . . 0.0 113.054 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.47 171.92 16.29 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -101.37 141.38 34.32 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.477 HD23 ' CE1' ' A' ' 14' ' ' TYR . 16.4 tp -133.22 158.47 42.8 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 104.122 -2.548 . . . . 0.0 104.122 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.61 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 87.0 m -130.83 143.8 50.99 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 119.21 0.914 . . . . 0.0 112.302 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 9' ' ' GLN . 9.7 t80 -101.91 78.32 1.79 Allowed 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt 18.68 34.98 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.32 0 N-CA-C 118.69 2.848 . . . . 0.0 118.69 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.9 OUTLIER 178.04 -40.1 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.185 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -103.07 162.88 12.58 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 110.601 -3.0 . . . . 0.0 108.712 179.831 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.61 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 63.7 m -144.61 133.01 21.91 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 126.664 2.477 . . . . 0.0 106.199 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -146.43 178.18 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 O-C-N 124.845 1.341 . . . . 0.0 108.944 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.7 m -103.82 149.15 25.31 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.477 ' CE1' HD23 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -128.42 128.71 44.96 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 104.698 -2.334 . . . . 0.0 104.698 179.714 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 61.6 m -120.21 112.89 19.63 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 124.812 1.32 . . . . 0.0 110.836 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 . . . . . 0 C--N 1.292 -1.917 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 179.375 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 75.2 m . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.0 171.57 14.24 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -105.01 146.98 28.3 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 104.646 -2.353 . . . . 0.0 104.646 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.436 HD23 ' CD1' ' A' ' 14' ' ' TYR . 6.8 tp -142.06 161.39 38.11 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 103.627 -2.731 . . . . 0.0 103.627 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.6 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 93.5 m -132.6 146.97 52.31 Favored 'General case' 0 N--CA 1.5 2.063 0 CA-C-N 119.849 1.204 . . . . 0.0 113.836 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' GLN . 33.0 t80 -102.98 79.24 1.74 Allowed 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt 16.41 40.52 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.412 0 N-CA-C 118.998 2.962 . . . . 0.0 118.998 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 7' ' ' TYR . 50.8 tt0 172.19 -39.32 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.2 0 N-CA-C 104.724 -2.325 . . . . 0.0 104.724 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -107.52 166.57 10.57 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 112.973 -1.921 . . . . 0.0 109.035 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.6 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 58.2 m -140.5 135.85 32.34 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.42 179.3 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 125.06 1.475 . . . . 0.0 107.745 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.8 m -110.81 149.83 30.0 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.436 ' CD1' HD23 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -135.43 121.2 19.64 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 104.135 -2.543 . . . . 0.0 104.135 179.595 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 97.9 m -114.16 135.49 53.98 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 101.728 -3.434 . . . . 0.0 101.728 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 . . . . . 0 C--N 1.285 -2.222 0 CA-C-N 112.916 -1.947 . . . . 0.0 107.877 179.697 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 78.2 m . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 122.15 0.976 . . . . 0.0 111.807 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.77 164.64 29.65 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 103.763 -2.68 . . . . 0.0 103.763 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 12' ' ' VAL . 24.0 ttm-85 -110.82 145.24 38.54 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 119.23 -0.988 . . . . 0.0 108.484 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.493 HD23 ' CE1' ' A' ' 14' ' ' TYR . 0.2 OUTLIER -141.35 150.67 42.75 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 93.1 m -120.56 148.3 44.05 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 9' ' ' GLN . 1.1 t80 -99.05 62.9 1.31 Allowed 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 102.98 -2.97 . . . . 0.0 102.98 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? 39.54 9.77 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 117.145 2.276 . . . . 0.0 117.145 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 7' ' ' TYR . 41.2 tt0 -144.81 -52.84 0.3 Allowed 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 105.82 -1.919 . . . . 0.0 105.82 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.535 ' CZ ' HG13 ' A' ' 12' ' ' VAL . 7.3 ptm180 -109.02 177.82 4.65 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 113.018 -1.901 . . . . 0.0 111.15 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 78.1 m -137.63 145.94 43.33 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 125.63 1.831 . . . . 0.0 110.314 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.535 HG13 ' CZ ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -142.09 177.48 3.1 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 O-C-N 126.234 2.209 . . . . 0.0 107.832 179.758 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.3 m -118.37 145.08 45.43 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 104.597 -2.371 . . . . 0.0 104.597 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.493 ' CE1' HD23 ' A' ' 5' ' ' LEU . 1.1 m-85 -125.16 127.09 46.29 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 101.881 -3.378 . . . . 0.0 101.881 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 73.3 m -125.32 105.69 9.29 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 104.972 -2.232 . . . . 0.0 104.972 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 . . . . . 0 N--CA 1.485 1.325 0 C-N-CA 117.172 -1.811 . . . . 0.0 108.628 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 79.1 m . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 123.602 1.668 . . . . 0.0 112.154 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.8 ptm85 -132.12 168.54 17.82 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 111.022 -2.808 . . . . 0.0 109.074 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -112.02 156.5 22.07 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.504 ' N ' HD23 ' A' ' 5' ' ' LEU . 2.1 pt? -154.48 162.74 40.99 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 124.325 1.015 . . . . 0.0 108.311 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.663 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 97.2 m -129.68 139.17 51.45 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.464 ' HB2' ' HE ' ' A' ' 10' ' ' ARG . 45.2 t80 -97.21 71.48 2.4 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 116.96 -1.896 . . . . 0.0 107.905 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HE3' ' HB2' ' A' ' 8' ' ' LYS . 24.0 mtmt 43.29 14.57 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.15 0 CA-C-N 110.663 -2.972 . . . . 0.0 115.665 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -161.58 -55.49 0.05 OUTLIER 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 105.915 -1.883 . . . . 0.0 105.915 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.464 ' HE ' ' HB2' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -99.34 174.42 6.3 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 113.902 -1.499 . . . . 0.0 111.817 -179.355 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.663 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 82.3 m -135.81 138.62 42.75 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 125.568 1.792 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.493 HG23 ' HG ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -143.64 179.45 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 125.124 1.515 . . . . 0.0 109.368 -179.548 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.1 m -118.73 148.54 42.68 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 105.094 -2.188 . . . . 0.0 105.094 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.436 ' CD1' HD21 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -130.24 126.77 38.14 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 102.597 -3.112 . . . . 0.0 102.597 179.628 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 59.3 m -120.18 111.22 17.56 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 101.67 -3.455 . . . . 0.0 101.67 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 . . . . . 0 C--N 1.303 -1.422 0 C-N-CA 116.617 -2.033 . . . . 0.0 106.796 179.808 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 77.5 m . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 122.695 1.235 . . . . 0.0 111.374 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.464 ' C ' ' HD3' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -135.25 170.22 16.26 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 112.515 -2.13 . . . . 0.0 109.238 -179.716 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -109.08 153.95 22.96 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.489 HD23 ' CE1' ' A' ' 14' ' ' TYR . 2.0 tp -146.44 150.84 36.39 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 88.4 m -125.3 142.07 51.71 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 9' ' ' GLN . 24.5 t80 -101.3 65.28 1.05 Allowed 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 118.1 -1.44 . . . . 0.0 109.044 -179.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? 38.68 12.85 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.325 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 7' ' ' TYR . 14.6 mm-40 -149.59 -51.83 0.15 Allowed 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.411 HH11 HG11 ' A' ' 12' ' ' VAL . 2.2 ptt180 -113.38 177.3 4.68 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.862 -1.063 . . . . 0.0 112.871 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 87.6 m -139.14 133.0 30.88 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 125.946 2.029 . . . . 0.0 107.404 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.411 HG11 HH11 ' A' ' 10' ' ' ARG . 0.0 OUTLIER -141.85 177.85 2.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 125.368 1.667 . . . . 0.0 108.365 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.7 m -112.14 155.41 23.95 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.891 -1.049 . . . . 0.0 108.547 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.489 ' CE1' HD23 ' A' ' 5' ' ' LEU . 2.2 m-85 -136.86 127.55 27.11 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 104.176 -2.527 . . . . 0.0 104.176 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 91.8 m -123.69 125.08 44.14 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 102.824 -3.028 . . . . 0.0 102.824 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 . . . . . 0 C--N 1.292 -1.899 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 179.449 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 73.2 m . . . . . 0 N--CA 1.485 1.318 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.98 158.58 43.47 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 113.173 -1.831 . . . . 0.0 107.015 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -105.09 155.79 18.68 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.629 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -160.85 166.71 28.07 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.68 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 73.2 m -132.22 145.84 51.6 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.431 ' CE1' ' CE ' ' A' ' 8' ' ' LYS . 44.4 t80 -108.06 87.89 2.6 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 103.358 -2.83 . . . . 0.0 103.358 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.431 ' CE ' ' CE1' ' A' ' 7' ' ' TYR . 22.0 mtmt 21.99 73.76 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.948 0 O-C-N 126.141 2.151 . . . . 0.0 112.266 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 129.05 -55.12 0.01 OUTLIER 'General case' 0 N--CA 1.517 2.879 0 O-C-N 126.953 2.658 . . . . 0.0 112.5 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 7' ' ' TYR . 2.8 ptm180 -92.83 156.28 17.09 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.054 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 87.6 m -128.2 131.37 48.86 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 m -135.73 -177.21 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 CA-C-N 112.5 -2.136 . . . . 0.0 111.832 -179.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.5 m -127.06 144.55 51.0 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 103.758 -2.682 . . . . 0.0 103.758 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.421 ' CD1' HD21 ' A' ' 5' ' ' LEU . 2.0 m-85 -130.2 128.73 42.28 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 102.929 -2.989 . . . . 0.0 102.929 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 93.3 m -124.13 133.35 53.61 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 102.852 -3.018 . . . . 0.0 102.852 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.284 -2.265 0 CA-C-N 112.408 -2.178 . . . . 0.0 109.081 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.4 m . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 122.991 1.377 . . . . 0.0 114.441 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.09 159.22 40.72 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 112.157 -2.292 . . . . 0.0 105.057 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 ttt85 -111.11 141.46 44.58 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 5' ' ' LEU . 2.5 pt? -146.35 171.54 14.85 Favored 'General case' 0 N--CA 1.503 2.204 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.639 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 84.4 m -132.79 154.66 50.05 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.402 -1.332 . . . . 0.0 107.402 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -106.78 61.76 0.63 Allowed 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt 30.43 42.75 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.611 0 CA-C-N 113.535 -1.666 . . . . 0.0 113.962 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -176.64 -64.12 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 110.09 -3.232 . . . . 0.0 107.026 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -102.82 172.48 6.81 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.098 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.639 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 90.6 m -132.35 135.71 46.35 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.427 HG23 ' CD2' ' A' ' 5' ' ' LEU . 2.4 m -137.5 178.03 5.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 CA-C-N 112.886 -1.961 . . . . 0.0 111.623 -179.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.5 m -119.25 140.53 50.09 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 101.245 -3.613 . . . . 0.0 101.245 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.443 ' HB2' HD22 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -127.4 124.61 38.92 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 103.416 -2.809 . . . . 0.0 103.416 179.722 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.5 m -121.49 121.1 36.76 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 100.699 -3.815 . . . . 0.0 100.699 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.5 ttm-85 . . . . . 0 C--N 1.295 -1.792 0 C-N-CA 118.242 -1.383 . . . . 0.0 107.553 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 82.5 m . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 121.801 0.81 . . . . 0.0 112.969 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.34 159.23 42.64 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 113.127 -1.851 . . . . 0.0 106.282 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -107.75 143.49 36.21 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.462 ' H ' HD23 ' A' ' 5' ' ' LEU . 2.2 pt? -143.04 170.2 16.16 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 124.591 1.182 . . . . 0.0 109.557 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.642 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 83.1 m -134.82 145.89 48.78 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.409 ' N ' ' O ' ' A' ' 10' ' ' ARG . 50.8 t80 -101.06 74.47 1.6 Allowed 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt 41.81 23.62 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 CA-C-N 110.941 -2.845 . . . . 0.0 114.994 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -173.77 -50.62 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 122.362 1.077 . . . . 0.0 109.813 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' A' ' 6' ' ' CYS . 3.7 ptm180 -101.61 162.64 12.76 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.411 -1.268 . . . . 0.0 109.025 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.642 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 97.5 m -127.5 137.24 52.6 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 124.808 1.317 . . . . 0.0 109.423 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.99 -179.77 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-N 113.46 -1.7 . . . . 0.0 111.253 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.9 m -118.98 144.14 46.65 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 112.164 -2.289 . . . . 0.0 105.792 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.461 ' CD1' HD21 ' A' ' 5' ' ' LEU . 1.1 m-85 -129.49 130.1 45.4 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 102.283 -3.228 . . . . 0.0 102.283 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 84.5 m -123.27 118.76 28.31 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 103.964 -2.606 . . . . 0.0 103.964 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? . . . . . 0 C--N 1.298 -1.655 0 N-CA-C 105.087 -2.19 . . . . 0.0 105.087 179.651 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 64.5 m . . . . . 0 N--CA 1.483 1.177 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -129.85 163.11 27.02 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 105.344 -2.095 . . . . 0.0 105.344 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -110.53 139.75 45.47 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 102.091 -3.3 . . . . 0.0 102.091 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.8 tp -137.43 161.08 37.3 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.645 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 83.1 m -130.44 142.49 50.5 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-N 118.824 0.738 . . . . 0.0 110.566 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -105.33 83.01 1.9 Allowed 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 101.612 -3.477 . . . . 0.0 101.612 -179.707 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt 0.72 76.88 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 O-C-N 126.859 2.6 . . . . 0.0 112.886 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 148.62 -46.87 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.224 0 O-C-N 128.023 3.327 . . . . 0.0 106.025 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 7' ' ' TYR . 9.6 ptp180 -117.66 169.75 9.32 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.645 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 91.2 m -137.14 136.59 38.39 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 125.215 1.572 . . . . 0.0 108.615 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.08 176.59 3.15 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 O-C-N 125.216 1.573 . . . . 0.0 110.048 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.5 m -114.75 148.44 38.35 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -124.72 111.67 15.84 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 112.053 -2.339 . . . . 0.0 110.107 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 87.5 m -114.13 123.54 49.87 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 103.368 -2.827 . . . . 0.0 103.368 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 . . . . . 0 C--N 1.292 -1.933 0 CA-C-N 113.416 -1.72 . . . . 0.0 107.887 179.645 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 83.8 m . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 121.832 0.825 . . . . 0.0 111.503 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.16 160.52 39.61 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 104.201 -2.518 . . . . 0.0 104.201 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -110.9 148.62 32.08 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.282 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.548 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.3 pt? -149.02 169.58 20.31 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 113.894 -1.503 . . . . 0.0 108.284 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.69 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 98.1 m -132.05 142.39 49.53 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 104.233 -2.506 . . . . 0.0 104.233 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 9' ' ' GLN . 67.3 t80 -99.32 78.26 2.2 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 102.455 -3.165 . . . . 0.0 102.455 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? 37.66 7.58 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 110.652 -2.976 . . . . 0.0 118.415 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -157.3 -45.98 0.07 Allowed 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.411 ' HG2' ' HB3' ' A' ' 7' ' ' TYR . 7.8 ptp180 -102.11 165.52 11.11 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.362 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.69 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 89.8 m -129.25 132.11 47.15 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 125.061 1.476 . . . . 0.0 108.925 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.417 HG23 ' HG ' ' A' ' 5' ' ' LEU . 2.9 m -137.67 176.41 7.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 CA-C-N 113.69 -1.596 . . . . 0.0 111.656 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.3 m -117.03 143.15 46.07 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 111.438 -2.619 . . . . 0.0 104.738 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.49 ' CD1' HD21 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -129.14 131.14 47.16 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 102.42 -3.178 . . . . 0.0 102.42 179.542 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 91.6 m -125.37 121.65 34.53 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 . . . . . 0 C--N 1.291 -1.96 0 N-CA-C 103.555 -2.758 . . . . 0.0 103.555 179.343 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 94.4 m . . . . . 0 N--CA 1.473 0.681 0 CA-C-O 122.507 1.146 . . . . 0.0 108.565 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.54 168.19 20.38 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 113.029 -1.896 . . . . 0.0 105.978 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -101.86 141.83 34.1 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.466 HD23 ' CE1' ' A' ' 14' ' ' TYR . 8.7 tp -137.33 160.46 39.01 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 73.9 m -130.73 161.78 30.92 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.497 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -127.71 101.36 6.35 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 104.26 -2.496 . . . . 0.0 104.26 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt 68.1 -67.66 0.19 Allowed 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.47 ' NE2' ' H ' ' A' ' 9' ' ' GLN . 1.4 pm0 -141.49 -10.28 0.94 Allowed 'General case' 0 C--N 1.294 -1.836 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.644 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 12.5 ptm180 -96.85 159.14 15.09 Favored 'General case' 0 C--O 1.203 -1.377 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 90.6 m -134.94 141.44 46.28 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 124.524 1.14 . . . . 0.0 109.851 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.62 177.82 2.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 125.84 1.962 . . . . 0.0 109.727 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.5 m -111.44 145.11 39.56 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.466 ' CE1' HD23 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -124.65 123.7 40.62 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 103.164 -2.902 . . . . 0.0 103.164 179.665 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 43.4 m -125.27 118.32 25.73 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 102.849 -3.019 . . . . 0.0 102.849 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 . . . . . 0 N--CA 1.503 2.204 0 C-N-CA 118.263 -1.375 . . . . 0.0 111.031 179.432 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 61.8 m . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 122.159 0.98 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.91 164.78 26.82 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 105.087 -2.19 . . . . 0.0 105.087 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 12' ' ' VAL . 32.4 ttm180 -119.72 145.75 46.25 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 119.669 -0.813 . . . . 0.0 110.718 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.414 HD21 ' CG ' ' A' ' 14' ' ' TYR . 0.7 OUTLIER -142.91 171.66 13.76 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 125.197 1.561 . . . . 0.0 108.364 -179.749 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 97.4 m -129.12 143.87 51.01 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.448 -0.901 . . . . 0.0 111.794 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.469 ' HB3' ' HG2' ' A' ' 10' ' ' ARG . 24.5 t80 -98.9 81.1 2.58 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt 17.5 44.73 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.365 0 O-C-N 126.302 2.251 . . . . 0.0 115.807 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' TYR . 37.7 tt0 170.55 -53.06 0.01 OUTLIER 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 112.463 -2.153 . . . . 0.0 105.958 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.469 ' HG2' ' HB3' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -100.05 170.18 8.67 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.599 -179.696 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 68.7 m -133.2 130.88 39.68 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 105.24 -2.133 . . . . 0.0 105.24 179.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.492 ' O ' ' HG3' ' A' ' 4' ' ' ARG . 1.1 m -137.74 161.43 33.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 CA-C-N 113.348 -1.751 . . . . 0.0 111.65 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.9 m -107.02 146.1 31.53 Favored 'General case' 0 C--N 1.288 -2.094 0 CA-C-N 111.542 -2.572 . . . . 0.0 104.426 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.414 ' CG ' HD21 ' A' ' 5' ' ' LEU . 1.6 m-85 -131.99 135.15 46.34 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 105.005 -2.221 . . . . 0.0 105.005 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 4.6 t -125.03 112.45 16.56 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 101.834 -3.395 . . . . 0.0 101.834 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 . . . . . 0 N--CA 1.509 2.511 0 CA-C-O 123.691 1.71 . . . . 0.0 109.69 -179.883 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 76.3 m . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 122.258 1.028 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.95 162.0 34.48 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 105.731 -1.951 . . . . 0.0 105.731 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 5' ' ' LEU . 27.9 ttm180 -111.86 149.25 32.08 Favored 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.474 ' N ' HD23 ' A' ' 5' ' ' LEU . 2.2 pt? -147.55 163.09 37.65 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 95.4 m -127.75 137.57 52.48 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 117.669 -1.613 . . . . 0.0 109.693 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 9' ' ' GLN . 41.3 t80 -89.31 74.88 7.81 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? 35.11 13.92 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.364 0 N-CA-C 117.298 2.333 . . . . 0.0 117.298 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -168.38 -47.53 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -90.94 165.53 13.52 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 111.193 -2.73 . . . . 0.0 108.759 -179.869 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 86.8 m -137.65 133.54 34.41 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 126.4 2.312 . . . . 0.0 105.65 179.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.459 HG23 ' CD2' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -137.93 179.22 3.61 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 125.57 1.794 . . . . 0.0 109.947 -179.482 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.3 m -121.72 147.27 46.12 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 105.178 -2.156 . . . . 0.0 105.178 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.466 ' CD1' HD21 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -128.14 120.53 27.53 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 103.329 -2.841 . . . . 0.0 103.329 179.718 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 77.4 m -119.53 118.52 31.28 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 101.958 -3.349 . . . . 0.0 101.958 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 . . . . . 0 C--N 1.301 -1.534 0 CA-C-O 122.777 1.275 . . . . 0.0 108.975 179.74 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 81.6 m . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 121.736 0.779 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.07 167.59 21.76 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 113.506 -1.679 . . . . 0.0 108.575 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.3 ttt-85 -105.31 142.03 35.79 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.453 ' N ' HD23 ' A' ' 5' ' ' LEU . 2.4 pt? -144.79 166.48 25.1 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.629 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 71.7 m -130.55 151.28 51.19 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 119.722 -0.791 . . . . 0.0 108.95 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.51 ' HB3' ' HG2' ' A' ' 10' ' ' ARG . 3.8 t80 -97.38 62.09 1.72 Allowed 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 102.522 -3.14 . . . . 0.0 102.522 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? 32.04 51.03 0.18 Allowed 'General case' 0 N--CA 1.503 2.217 0 CA-C-N 113.815 -1.539 . . . . 0.0 112.868 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? 169.81 -62.55 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 CA-C-N 111.415 -2.63 . . . . 0.0 107.727 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.51 ' HG2' ' HB3' ' A' ' 7' ' ' TYR . 14.4 ptt85 -99.95 167.31 10.58 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.16 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.629 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 76.5 m -132.18 137.97 47.83 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 124.157 0.911 . . . . 0.0 112.809 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.421 HG23 ' CD2' ' A' ' 5' ' ' LEU . 1.2 m -136.71 -175.76 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 C-N-CA 126.591 1.956 . . . . 0.0 112.649 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.1 m -126.39 145.67 50.37 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 113.196 -1.82 . . . . 0.0 106.108 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 1.0 OUTLIER -127.03 132.1 50.81 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 104.802 -2.295 . . . . 0.0 104.802 179.701 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 32.9 m -120.21 97.27 5.51 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 125.085 1.49 . . . . 0.0 108.323 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 125.324 2.488 . . . . 0.0 105.699 -179.899 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 71.6 m . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -142.88 158.76 43.3 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 105.1 -2.185 . . . . 0.0 105.1 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.452 ' HG2' ' N ' ' A' ' 5' ' ' LEU . 8.8 ttm180 -102.71 150.74 23.16 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 105.345 -2.094 . . . . 0.0 105.345 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.602 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.1 pt? -151.56 166.79 30.1 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 113.473 -1.694 . . . . 0.0 108.444 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.596 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 72.3 m -130.04 147.02 51.74 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.71 95.24 5.43 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt 69.25 -62.22 0.41 Allowed 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 113.481 -1.69 . . . . 0.0 111.534 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -137.74 -11.68 1.55 Allowed 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 6' ' ' CYS . 8.2 ptp180 -101.87 159.25 15.5 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.596 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 84.0 m -126.53 135.73 51.67 Favored 'General case' 0 C--N 1.291 -1.939 0 O-C-N 124.332 1.02 . . . . 0.0 108.872 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.456 HG23 ' HG ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -136.34 -179.78 3.28 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 CA-C-N 112.121 -2.309 . . . . 0.0 111.298 -179.445 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.2 m -124.14 144.52 49.85 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 112.985 -1.916 . . . . 0.0 107.429 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -128.87 133.01 47.78 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 103.068 -2.938 . . . . 0.0 103.068 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 67.5 m -125.26 116.86 22.63 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 101.379 -3.563 . . . . 0.0 101.379 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 . . . . . 0 C--N 1.295 -1.784 0 CA-C-O 122.918 1.342 . . . . 0.0 109.061 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.737 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 84.5 m -102.24 128.1 48.91 Favored 'General case' 0 C--N 1.286 -2.155 0 CA-C-N 111.625 -2.534 . . . . 0.0 112.914 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -134.45 166.62 22.44 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 104.609 -2.367 . . . . 0.0 104.609 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.1 ttm-85 -108.21 146.18 33.17 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 103.748 -2.686 . . . . 0.0 103.748 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.511 HD23 ' CE1' ' A' ' 14' ' ' TYR . 1.2 tp -140.46 152.28 45.53 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 105.091 -2.188 . . . . 0.0 105.091 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.609 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 90.9 m -125.11 139.69 53.55 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 119.476 -0.889 . . . . 0.0 108.977 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 9' ' ' GLN . 17.3 t80 -97.72 80.11 2.76 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 104.29 -2.485 . . . . 0.0 104.29 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? 25.14 25.59 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.687 0 N-CA-C 118.54 2.793 . . . . 0.0 118.54 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 7' ' ' TYR . 48.2 tt0 -175.34 -47.03 0.01 OUTLIER 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 104.668 -2.345 . . . . 0.0 104.668 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 7' ' ' TYR . 1.4 ttm180 -93.67 163.19 13.64 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 113.079 -1.873 . . . . 0.0 109.231 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.609 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 87.4 m -143.7 127.36 17.08 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 126.133 2.146 . . . . 0.0 108.402 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -141.77 -179.57 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 125.108 1.505 . . . . 0.0 110.803 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.9 m -113.18 145.36 41.09 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 114.331 -1.304 . . . . 0.0 108.289 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.511 ' CE1' HD23 ' A' ' 5' ' ' LEU . 1.3 m-85 -124.31 117.28 24.16 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 66.1 m -118.94 120.07 36.19 Favored 'General case' 0 C--N 1.298 -1.648 1 N-CA-C 99.368 -4.308 . . . . 0.0 99.368 179.445 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -90.62 154.01 19.9 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 123.246 1.498 . . . . 0.0 111.368 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 121.82 171.34 14.02 Favored Glycine 0 N--CA 1.496 2.667 0 CA-C-N 111.866 -2.425 . . . . 0.0 107.282 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -134.03 156.79 47.58 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.661 0 O-C-N 118.876 -2.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . 0.253 . . . . . . . 0 CA--C 1.505 -0.762 0 CA-C-O 123.047 1.403 . . . . 0.0 107.579 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 75.3 m -104.76 131.89 51.66 Favored 'General case' 0 C--N 1.285 -2.197 0 CA-C-N 110.337 -3.12 . . . . 0.0 108.605 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.465 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.4 OUTLIER -135.66 159.5 41.44 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 -179.721 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.465 ' N ' ' HD3' ' A' ' 3' ' ' ARG . 3.1 ttm-85 -107.42 140.08 40.92 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.588 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.6 pt? -146.53 156.59 43.36 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.905 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.601 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 77.4 m -123.33 139.83 53.64 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.548 ' HB3' ' HG2' ' A' ' 10' ' ' ARG . 70.4 t80 -92.11 71.67 5.44 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 102.497 -3.149 . . . . 0.0 102.497 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? 39.93 18.82 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.428 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 3.6 tp-100 -170.27 -47.65 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.548 ' HG2' ' HB3' ' A' ' 7' ' ' TYR . 10.9 ptm180 -99.53 161.14 13.79 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.601 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 93.2 m -133.09 129.66 38.28 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 124.791 1.307 . . . . 0.0 109.037 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 m -134.75 179.01 4.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 CA-C-N 112.971 -1.922 . . . . 0.0 111.978 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.0 m -121.48 139.55 53.34 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 100.887 -3.746 . . . . 0.0 100.887 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -125.72 128.6 48.02 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 101.798 -3.408 . . . . 0.0 101.798 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 84.6 m -120.72 119.35 32.54 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 102.697 -3.075 . . . . 0.0 102.697 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.422 ' HA ' ' HD2' ' A' ' 16' ' ' ARG . 2.9 tpt180 -66.74 157.31 33.09 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-N 113.737 -1.574 . . . . 0.0 109.235 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.0 -95.42 0.35 Allowed Glycine 0 N--CA 1.501 3.027 0 CA-C-N 114.447 -1.251 . . . . 0.0 114.01 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.418 ' HD3' ' O ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -111.6 -24.28 10.19 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.71 -179.666 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.473 0 O-C-N 119.437 -2.039 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.63 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 75.0 m -103.22 130.75 50.52 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 111.712 -2.494 . . . . 0.0 109.223 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.486 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.4 OUTLIER -135.56 155.52 50.35 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 113.037 -1.892 . . . . 0.0 107.036 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.486 ' N ' ' HD3' ' A' ' 3' ' ' ARG . 2.7 ttm-85 -104.76 139.57 39.35 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.52 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -139.75 164.01 31.08 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.952 -179.401 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.601 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 94.4 m -129.48 148.02 51.35 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.457 ' H ' ' HG2' ' A' ' 10' ' ' ARG . 2.6 m-30 -102.15 57.4 0.81 Allowed 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 101.797 -3.408 . . . . 0.0 101.797 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt 67.98 -47.45 0.52 Allowed 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 125.481 1.513 . . . . 0.0 114.824 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -110.54 -36.71 5.68 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-N 114.065 -1.425 . . . . 0.0 109.866 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.457 ' HG2' ' H ' ' A' ' 7' ' ' TYR . 2.6 ptm180 -98.44 165.83 11.66 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.601 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 83.5 m -142.76 123.66 14.33 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 179.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 m -138.17 176.8 6.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-N 112.538 -2.119 . . . . 0.0 111.596 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.5 m -122.1 146.57 47.08 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.412 ' CE1' HD11 ' A' ' 5' ' ' LEU . 3.8 m-30 -127.57 133.98 49.73 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 104.009 -2.589 . . . . 0.0 104.009 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 76.2 m -122.06 115.61 22.8 Favored 'General case' 0 C--N 1.298 -1.655 1 N-CA-C 99.825 -4.139 . . . . 0.0 99.825 179.348 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -61.18 154.59 22.91 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 114.647 -1.161 . . . . 0.0 108.637 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.72 -70.82 0.47 Allowed Glycine 0 N--CA 1.5 2.951 0 N-CA-C 117.882 1.913 . . . . 0.0 117.882 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -123.17 -35.22 3.02 Favored 'General case' 0 N--CA 1.501 2.116 0 CA-C-N 118.045 0.923 . . . . 0.0 113.348 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.581 0 O-C-N 119.006 -2.309 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.638 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.5 m -95.54 118.09 31.61 Favored 'General case' 0 C--N 1.291 -1.955 0 CA-C-N 111.365 -2.652 . . . . 0.0 116.19 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -133.63 171.97 13.38 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 111.47 -2.604 . . . . 0.0 107.591 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.637 ' NH2' ' SG ' ' A' ' 6' ' ' CYS . 14.9 ttp85 -106.56 146.55 30.51 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.452 HD22 ' CD2' ' A' ' 14' ' ' TYR . 0.2 OUTLIER -138.54 159.81 41.14 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 107.175 -1.416 . . . . 0.0 107.175 -179.583 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 97.5 m -131.84 131.95 43.27 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 105.628 -1.99 . . . . 0.0 105.628 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.542 ' HB3' ' HG2' ' A' ' 10' ' ' ARG . 67.8 t80 -90.98 71.73 6.43 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? 41.03 11.24 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 7' ' ' TYR . 54.8 tt0 -158.35 -51.97 0.07 Allowed 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.542 ' HG2' ' HB3' ' A' ' 7' ' ' TYR . 5.5 ptt180 -100.74 166.99 10.6 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 113.775 -1.557 . . . . 0.0 110.27 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 92.8 m -133.78 136.36 44.48 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 124.849 1.343 . . . . 0.0 107.58 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.73 -177.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 CA-C-N 113.425 -1.716 . . . . 0.0 108.04 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -115.32 148.05 39.71 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 106.109 -1.812 . . . . 0.0 106.109 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.452 ' CD2' HD22 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -131.31 127.39 37.6 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 102.464 -3.162 . . . . 0.0 102.464 179.575 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.1 m -119.1 113.63 21.22 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 102.571 -3.122 . . . . 0.0 102.571 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -89.38 138.81 31.11 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 123.137 1.446 . . . . 0.0 108.457 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 133.75 -175.12 20.46 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 104.24 -3.544 . . . . 0.0 104.24 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.55 61.05 0.79 Allowed 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.683 0 O-C-N 118.542 -2.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.701 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 81.5 m -102.6 124.95 49.08 Favored 'General case' 0 C--N 1.285 -2.205 0 CA-C-N 111.936 -2.393 . . . . 0.0 111.387 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.71 158.2 40.04 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 112.31 -2.223 . . . . 0.0 105.645 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.83 137.66 48.2 Favored 'General case' 0 N--CA 1.506 2.361 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.585 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.582 HD21 ' CD1' ' A' ' 14' ' ' TYR . 1.0 OUTLIER -137.15 170.03 16.79 Favored 'General case' 0 N--CA 1.502 2.144 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.417 -179.787 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 90.0 m -129.75 142.14 50.75 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 9' ' ' GLN . 41.9 t80 -97.35 74.17 2.47 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 103.842 -2.651 . . . . 0.0 103.842 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? 36.87 13.98 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 117.862 2.542 . . . . 0.0 117.862 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' TYR . 2.3 mt-30 -157.07 -53.73 0.08 Allowed 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -104.91 175.58 5.44 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.792 -179.521 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 72.2 m -133.36 137.48 45.9 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 125.723 1.889 . . . . 0.0 111.584 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.5 HG23 ' HG ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -140.83 169.39 15.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 CA-C-N 113.452 -1.704 . . . . 0.0 111.691 -179.557 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.6 m -110.51 141.37 43.75 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 103.949 -2.611 . . . . 0.0 103.949 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.582 ' CD1' HD21 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -127.98 123.38 34.65 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 102.063 -3.31 . . . . 0.0 102.063 179.592 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 90.5 m -118.58 120.54 37.79 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 103.257 -2.868 . . . . 0.0 103.257 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -77.45 163.29 26.49 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.43 -177.48 20.69 Favored Glycine 0 N--CA 1.496 2.7 0 CA-C-N 113.77 -1.559 . . . . 0.0 110.713 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.2 mmt85 -123.72 61.91 1.07 Allowed 'General case' 0 N--CA 1.499 1.988 0 CA-C-O 122.409 1.099 . . . . 0.0 110.253 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.741 0 O-C-N 117.961 -2.962 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.889 0 CA-C-O 122.658 1.218 . . . . 0.0 108.686 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 59.1 m -94.91 143.69 26.27 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.432 -1.713 . . . . 0.0 113.054 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.47 171.92 16.29 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -101.37 141.38 34.32 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.477 HD23 ' CE1' ' A' ' 14' ' ' TYR . 16.4 tp -133.22 158.47 42.8 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 104.122 -2.548 . . . . 0.0 104.122 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.61 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 87.0 m -130.83 143.8 50.99 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 119.21 0.914 . . . . 0.0 112.302 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 9' ' ' GLN . 9.7 t80 -101.91 78.32 1.79 Allowed 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt 18.68 34.98 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.32 0 N-CA-C 118.69 2.848 . . . . 0.0 118.69 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.9 OUTLIER 178.04 -40.1 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.185 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -103.07 162.88 12.58 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 110.601 -3.0 . . . . 0.0 108.712 179.831 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.61 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 63.7 m -144.61 133.01 21.91 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 126.664 2.477 . . . . 0.0 106.199 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -146.43 178.18 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 O-C-N 124.845 1.341 . . . . 0.0 108.944 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.7 m -103.82 149.15 25.31 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.477 ' CE1' HD23 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -128.42 128.71 44.96 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 104.698 -2.334 . . . . 0.0 104.698 179.714 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 61.6 m -120.21 112.89 19.63 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 124.812 1.32 . . . . 0.0 110.836 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -89.27 167.49 13.03 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.22 -49.65 0.94 Allowed Glycine 0 N--CA 1.495 2.626 0 N-CA-C 109.001 -1.639 . . . . 0.0 109.001 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 41.49 39.33 1.05 Allowed 'General case' 0 N--CA 1.503 2.204 0 O-C-N 125.463 1.331 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.476 0 O-C-N 118.858 -2.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.775 0 N-CA-C 103.33 -2.841 . . . . 0.0 103.33 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 75.2 m -115.13 134.56 55.05 Favored 'General case' 0 C--N 1.291 -1.962 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.0 171.57 14.24 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -105.01 146.98 28.3 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 104.646 -2.353 . . . . 0.0 104.646 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.436 HD23 ' CD1' ' A' ' 14' ' ' TYR . 6.8 tp -142.06 161.39 38.11 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 103.627 -2.731 . . . . 0.0 103.627 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.6 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 93.5 m -132.6 146.97 52.31 Favored 'General case' 0 N--CA 1.5 2.063 0 CA-C-N 119.849 1.204 . . . . 0.0 113.836 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' GLN . 33.0 t80 -102.98 79.24 1.74 Allowed 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt 16.41 40.52 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.412 0 N-CA-C 118.998 2.962 . . . . 0.0 118.998 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 7' ' ' TYR . 50.8 tt0 172.19 -39.32 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.2 0 N-CA-C 104.724 -2.325 . . . . 0.0 104.724 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -107.52 166.57 10.57 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 112.973 -1.921 . . . . 0.0 109.035 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.6 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 58.2 m -140.5 135.85 32.34 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.42 179.3 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 125.06 1.475 . . . . 0.0 107.745 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.8 m -110.81 149.83 30.0 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.436 ' CD1' HD23 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -135.43 121.2 19.64 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 104.135 -2.543 . . . . 0.0 104.135 179.595 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 97.9 m -114.16 135.49 53.98 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 101.728 -3.434 . . . . 0.0 101.728 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.558 ' HG2' ' N ' ' A' ' 17' ' ' GLY . 21.7 ttt180 -99.08 157.99 15.97 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-N 112.916 -1.947 . . . . 0.0 107.877 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.558 ' N ' ' HG2' ' A' ' 16' ' ' ARG . . . 163.05 170.48 27.99 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 106.848 -2.501 . . . . 0.0 106.848 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.35 67.77 0.94 Allowed 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 105.569 -2.011 . . . . 0.0 105.569 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.706 0 O-C-N 118.092 -2.88 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.67 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 78.2 m -86.72 134.63 33.57 Favored 'General case' 0 C--N 1.288 -2.067 0 CA-C-N 111.997 -2.365 . . . . 0.0 111.807 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.77 164.64 29.65 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 103.763 -2.68 . . . . 0.0 103.763 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 12' ' ' VAL . 24.0 ttm-85 -110.82 145.24 38.54 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 119.23 -0.988 . . . . 0.0 108.484 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.493 HD23 ' CE1' ' A' ' 14' ' ' TYR . 0.2 OUTLIER -141.35 150.67 42.75 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 93.1 m -120.56 148.3 44.05 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 9' ' ' GLN . 1.1 t80 -99.05 62.9 1.31 Allowed 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 102.98 -2.97 . . . . 0.0 102.98 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? 39.54 9.77 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 117.145 2.276 . . . . 0.0 117.145 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 7' ' ' TYR . 41.2 tt0 -144.81 -52.84 0.3 Allowed 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 105.82 -1.919 . . . . 0.0 105.82 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.535 ' CZ ' HG13 ' A' ' 12' ' ' VAL . 7.3 ptm180 -109.02 177.82 4.65 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 113.018 -1.901 . . . . 0.0 111.15 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 78.1 m -137.63 145.94 43.33 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 125.63 1.831 . . . . 0.0 110.314 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.535 HG13 ' CZ ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -142.09 177.48 3.1 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 O-C-N 126.234 2.209 . . . . 0.0 107.832 179.758 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.3 m -118.37 145.08 45.43 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 104.597 -2.371 . . . . 0.0 104.597 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.493 ' CE1' HD23 ' A' ' 5' ' ' LEU . 1.1 m-85 -125.16 127.09 46.29 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 101.881 -3.378 . . . . 0.0 101.881 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 73.3 m -125.32 105.69 9.29 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 104.972 -2.232 . . . . 0.0 104.972 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -80.66 153.43 27.92 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 117.172 -1.811 . . . . 0.0 108.628 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 136.01 -165.02 24.98 Favored Glycine 0 C--N 1.296 -1.679 1 N-CA-C 100.852 -4.899 . . . . 0.0 100.852 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.78 64.68 0.8 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.738 0 O-C-N 118.938 -2.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.645 0 CA-C-O 122.157 0.98 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 79.1 m -91.94 118.95 31.24 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 111.22 -2.718 . . . . 0.0 112.154 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.8 ptm85 -132.12 168.54 17.82 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 111.022 -2.808 . . . . 0.0 109.074 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -112.02 156.5 22.07 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.504 ' N ' HD23 ' A' ' 5' ' ' LEU . 2.1 pt? -154.48 162.74 40.99 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 124.325 1.015 . . . . 0.0 108.311 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.663 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 97.2 m -129.68 139.17 51.45 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.464 ' HB2' ' HE ' ' A' ' 10' ' ' ARG . 45.2 t80 -97.21 71.48 2.4 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 116.96 -1.896 . . . . 0.0 107.905 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HE3' ' HB2' ' A' ' 8' ' ' LYS . 24.0 mtmt 43.29 14.57 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.15 0 CA-C-N 110.663 -2.972 . . . . 0.0 115.665 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -161.58 -55.49 0.05 OUTLIER 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 105.915 -1.883 . . . . 0.0 105.915 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.464 ' HE ' ' HB2' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -99.34 174.42 6.3 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 113.902 -1.499 . . . . 0.0 111.817 -179.355 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.663 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 82.3 m -135.81 138.62 42.75 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 125.568 1.792 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.493 HG23 ' HG ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -143.64 179.45 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 125.124 1.515 . . . . 0.0 109.368 -179.548 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.1 m -118.73 148.54 42.68 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 105.094 -2.188 . . . . 0.0 105.094 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.436 ' CD1' HD21 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -130.24 126.77 38.14 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 102.597 -3.112 . . . . 0.0 102.597 179.628 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 59.3 m -120.18 111.22 17.56 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 101.67 -3.455 . . . . 0.0 101.67 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 -85.44 154.71 21.64 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 116.617 -2.033 . . . . 0.0 106.796 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 136.16 -155.81 22.63 Favored Glycine 0 N--CA 1.484 1.85 1 N-CA-C 101.045 -4.822 . . . . 0.0 101.045 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -123.86 170.94 10.06 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.696 0 O-C-N 118.619 -2.551 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 77.5 m -105.48 132.58 51.47 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 114.23 -1.35 . . . . 0.0 111.374 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.464 ' C ' ' HD3' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -135.25 170.22 16.26 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 112.515 -2.13 . . . . 0.0 109.238 -179.716 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -109.08 153.95 22.96 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.489 HD23 ' CE1' ' A' ' 14' ' ' TYR . 2.0 tp -146.44 150.84 36.39 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 88.4 m -125.3 142.07 51.71 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 9' ' ' GLN . 24.5 t80 -101.3 65.28 1.05 Allowed 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 118.1 -1.44 . . . . 0.0 109.044 -179.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? 38.68 12.85 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.325 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 7' ' ' TYR . 14.6 mm-40 -149.59 -51.83 0.15 Allowed 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.411 HH11 HG11 ' A' ' 12' ' ' VAL . 2.2 ptt180 -113.38 177.3 4.68 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.862 -1.063 . . . . 0.0 112.871 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 87.6 m -139.14 133.0 30.88 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 125.946 2.029 . . . . 0.0 107.404 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.411 HG11 HH11 ' A' ' 10' ' ' ARG . 0.0 OUTLIER -141.85 177.85 2.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 125.368 1.667 . . . . 0.0 108.365 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.7 m -112.14 155.41 23.95 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.891 -1.049 . . . . 0.0 108.547 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.489 ' CE1' HD23 ' A' ' 5' ' ' LEU . 2.2 m-85 -136.86 127.55 27.11 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 104.176 -2.527 . . . . 0.0 104.176 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 91.8 m -123.69 125.08 44.14 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 102.824 -3.028 . . . . 0.0 102.824 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -68.6 170.39 9.32 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.76 -62.74 1.92 Allowed Glycine 0 N--CA 1.503 3.101 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.859 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 12.13 57.46 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.307 0 N-CA-C 115.691 1.738 . . . . 0.0 115.691 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.525 0 O-C-N 117.62 -3.175 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 73.2 m -106.71 142.33 36.53 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-N 113.256 -1.793 . . . . 0.0 113.648 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.98 158.58 43.47 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 113.173 -1.831 . . . . 0.0 107.015 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -105.09 155.79 18.68 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.629 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -160.85 166.71 28.07 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.68 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 73.2 m -132.22 145.84 51.6 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.431 ' CE1' ' CE ' ' A' ' 8' ' ' LYS . 44.4 t80 -108.06 87.89 2.6 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 103.358 -2.83 . . . . 0.0 103.358 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.431 ' CE ' ' CE1' ' A' ' 7' ' ' TYR . 22.0 mtmt 21.99 73.76 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.948 0 O-C-N 126.141 2.151 . . . . 0.0 112.266 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 129.05 -55.12 0.01 OUTLIER 'General case' 0 N--CA 1.517 2.879 0 O-C-N 126.953 2.658 . . . . 0.0 112.5 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 7' ' ' TYR . 2.8 ptm180 -92.83 156.28 17.09 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.054 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 87.6 m -128.2 131.37 48.86 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 m -135.73 -177.21 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 CA-C-N 112.5 -2.136 . . . . 0.0 111.832 -179.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.5 m -127.06 144.55 51.0 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 103.758 -2.682 . . . . 0.0 103.758 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.421 ' CD1' HD21 ' A' ' 5' ' ' LEU . 2.0 m-85 -130.2 128.73 42.28 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 102.929 -2.989 . . . . 0.0 102.929 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 93.3 m -124.13 133.35 53.61 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 102.852 -3.018 . . . . 0.0 102.852 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.69 160.57 17.28 Favored 'General case' 0 C--N 1.284 -2.265 0 CA-C-N 112.408 -2.178 . . . . 0.0 109.081 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' A' ' 18' ' ' ARG . . . 115.75 58.53 0.34 Allowed Glycine 0 N--CA 1.503 3.146 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.185 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 33.2 ttt85 74.49 -54.29 0.67 Allowed 'General case' 0 N--CA 1.502 2.134 0 CA-C-O 121.361 0.601 . . . . 0.0 109.46 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.682 0 O-C-N 119.304 -2.123 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.247 0 N-CA-C 102.874 -3.009 . . . . 0.0 102.874 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.4 m -107.24 137.85 44.53 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-O 122.991 1.377 . . . . 0.0 114.441 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.09 159.22 40.72 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 112.157 -2.292 . . . . 0.0 105.057 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 ttt85 -111.11 141.46 44.58 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 5' ' ' LEU . 2.5 pt? -146.35 171.54 14.85 Favored 'General case' 0 N--CA 1.503 2.204 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.639 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 84.4 m -132.79 154.66 50.05 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.402 -1.332 . . . . 0.0 107.402 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -106.78 61.76 0.63 Allowed 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt 30.43 42.75 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.611 0 CA-C-N 113.535 -1.666 . . . . 0.0 113.962 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -176.64 -64.12 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 110.09 -3.232 . . . . 0.0 107.026 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -102.82 172.48 6.81 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.098 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.639 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 90.6 m -132.35 135.71 46.35 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.427 HG23 ' CD2' ' A' ' 5' ' ' LEU . 2.4 m -137.5 178.03 5.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 CA-C-N 112.886 -1.961 . . . . 0.0 111.623 -179.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.5 m -119.25 140.53 50.09 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 101.245 -3.613 . . . . 0.0 101.245 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.443 ' HB2' HD22 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -127.4 124.61 38.92 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 103.416 -2.809 . . . . 0.0 103.416 179.722 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.5 m -121.49 121.1 36.76 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 100.699 -3.815 . . . . 0.0 100.699 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 17' ' ' GLY . 33.5 ttm-85 -88.23 166.88 14.04 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 118.242 -1.383 . . . . 0.0 107.553 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.424 ' N ' ' CG ' ' A' ' 16' ' ' ARG . . . 138.79 -90.78 0.2 Allowed Glycine 0 N--CA 1.489 2.208 0 N-CA-C 105.381 -3.088 . . . . 0.0 105.381 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.6 ttt180 -129.02 -45.02 1.27 Allowed 'General case' 0 N--CA 1.494 1.749 0 CA-C-O 121.898 0.856 . . . . 0.0 109.138 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.56 0 O-C-N 118.721 -2.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.69 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 82.5 m -98.44 139.93 33.44 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 113.149 -1.841 . . . . 0.0 112.969 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.34 159.23 42.64 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 113.127 -1.851 . . . . 0.0 106.282 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -107.75 143.49 36.21 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.462 ' H ' HD23 ' A' ' 5' ' ' LEU . 2.2 pt? -143.04 170.2 16.16 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 124.591 1.182 . . . . 0.0 109.557 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.642 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 83.1 m -134.82 145.89 48.78 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.409 ' N ' ' O ' ' A' ' 10' ' ' ARG . 50.8 t80 -101.06 74.47 1.6 Allowed 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt 41.81 23.62 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 CA-C-N 110.941 -2.845 . . . . 0.0 114.994 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -173.77 -50.62 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 122.362 1.077 . . . . 0.0 109.813 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' A' ' 6' ' ' CYS . 3.7 ptm180 -101.61 162.64 12.76 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.411 -1.268 . . . . 0.0 109.025 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.642 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 97.5 m -127.5 137.24 52.6 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 124.808 1.317 . . . . 0.0 109.423 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.99 -179.77 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-N 113.46 -1.7 . . . . 0.0 111.253 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.9 m -118.98 144.14 46.65 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 112.164 -2.289 . . . . 0.0 105.792 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.461 ' CD1' HD21 ' A' ' 5' ' ' LEU . 1.1 m-85 -129.49 130.1 45.4 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 102.283 -3.228 . . . . 0.0 102.283 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 84.5 m -123.27 118.76 28.31 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 103.964 -2.606 . . . . 0.0 103.964 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -74.8 155.9 37.09 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 105.087 -2.19 . . . . 0.0 105.087 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.18 -172.82 14.53 Favored Glycine 0 N--CA 1.496 2.67 0 N-CA-C 108.071 -2.012 . . . . 0.0 108.071 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.8 mmm-85 -129.25 159.57 35.7 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.659 0 O-C-N 118.464 -2.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 64.5 m -108.67 136.89 47.5 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-N 114.406 -1.27 . . . . 0.0 113.323 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -129.85 163.11 27.02 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 105.344 -2.095 . . . . 0.0 105.344 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -110.53 139.75 45.47 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 102.091 -3.3 . . . . 0.0 102.091 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.8 tp -137.43 161.08 37.3 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.645 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 83.1 m -130.44 142.49 50.5 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-N 118.824 0.738 . . . . 0.0 110.566 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -105.33 83.01 1.9 Allowed 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 101.612 -3.477 . . . . 0.0 101.612 -179.707 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt 0.72 76.88 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 O-C-N 126.859 2.6 . . . . 0.0 112.886 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 148.62 -46.87 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.224 0 O-C-N 128.023 3.327 . . . . 0.0 106.025 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 7' ' ' TYR . 9.6 ptp180 -117.66 169.75 9.32 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.645 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 91.2 m -137.14 136.59 38.39 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 125.215 1.572 . . . . 0.0 108.615 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.08 176.59 3.15 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 O-C-N 125.216 1.573 . . . . 0.0 110.048 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.5 m -114.75 148.44 38.35 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -124.72 111.67 15.84 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 112.053 -2.339 . . . . 0.0 110.107 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 87.5 m -114.13 123.54 49.87 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 103.368 -2.827 . . . . 0.0 103.368 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -76.07 171.42 14.5 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 113.416 -1.72 . . . . 0.0 107.887 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.12 -96.36 0.5 Allowed Glycine 0 N--CA 1.494 2.537 0 N-CA-C 106.573 -2.611 . . . . 0.0 106.573 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.11 46.78 2.57 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.535 0 O-C-N 119.054 -2.279 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 83.8 m -98.03 138.43 35.35 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 114.191 -1.368 . . . . 0.0 111.503 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.16 160.52 39.61 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 104.201 -2.518 . . . . 0.0 104.201 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -110.9 148.62 32.08 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.282 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.548 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.3 pt? -149.02 169.58 20.31 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 113.894 -1.503 . . . . 0.0 108.284 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.69 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 98.1 m -132.05 142.39 49.53 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 104.233 -2.506 . . . . 0.0 104.233 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 9' ' ' GLN . 67.3 t80 -99.32 78.26 2.2 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 102.455 -3.165 . . . . 0.0 102.455 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? 37.66 7.58 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 110.652 -2.976 . . . . 0.0 118.415 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -157.3 -45.98 0.07 Allowed 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.411 ' HG2' ' HB3' ' A' ' 7' ' ' TYR . 7.8 ptp180 -102.11 165.52 11.11 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.362 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.69 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 89.8 m -129.25 132.11 47.15 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 125.061 1.476 . . . . 0.0 108.925 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.417 HG23 ' HG ' ' A' ' 5' ' ' LEU . 2.9 m -137.67 176.41 7.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 CA-C-N 113.69 -1.596 . . . . 0.0 111.656 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.3 m -117.03 143.15 46.07 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 111.438 -2.619 . . . . 0.0 104.738 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.49 ' CD1' HD21 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -129.14 131.14 47.16 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 102.42 -3.178 . . . . 0.0 102.42 179.542 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 91.6 m -125.37 121.65 34.53 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -79.11 -178.74 6.31 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 103.555 -2.758 . . . . 0.0 103.555 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' NH2 . . . 118.18 -60.92 0.46 Allowed Glycine 0 N--CA 1.505 3.266 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.572 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -9.53 63.62 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.351 0 N-CA-C 118.273 2.694 . . . . 0.0 118.273 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' GLY . . . . . . . . 0 C--N 1.298 -1.635 0 O-C-N 116.86 -3.65 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.626 0 CA-C-O 122.657 1.218 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 94.4 m -103.66 118.5 36.87 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-N 110.702 -2.953 . . . . 0.0 108.565 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.54 168.19 20.38 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 113.029 -1.896 . . . . 0.0 105.978 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -101.86 141.83 34.1 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.466 HD23 ' CE1' ' A' ' 14' ' ' TYR . 8.7 tp -137.33 160.46 39.01 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 73.9 m -130.73 161.78 30.92 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.497 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -127.71 101.36 6.35 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 104.26 -2.496 . . . . 0.0 104.26 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt 68.1 -67.66 0.19 Allowed 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.47 ' NE2' ' H ' ' A' ' 9' ' ' GLN . 1.4 pm0 -141.49 -10.28 0.94 Allowed 'General case' 0 C--N 1.294 -1.836 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.644 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 12.5 ptm180 -96.85 159.14 15.09 Favored 'General case' 0 C--O 1.203 -1.377 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 90.6 m -134.94 141.44 46.28 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 124.524 1.14 . . . . 0.0 109.851 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.62 177.82 2.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 125.84 1.962 . . . . 0.0 109.727 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.5 m -111.44 145.11 39.56 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.466 ' CE1' HD23 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -124.65 123.7 40.62 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 103.164 -2.902 . . . . 0.0 103.164 179.665 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 43.4 m -125.27 118.32 25.73 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 102.849 -3.019 . . . . 0.0 102.849 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -82.15 156.19 24.61 Favored 'General case' 0 N--CA 1.503 2.204 0 C-N-CA 118.263 -1.375 . . . . 0.0 111.031 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.18 -70.83 0.51 Allowed Glycine 0 N--CA 1.501 3.018 0 CA-C-N 115.004 -0.998 . . . . 0.0 114.459 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.86 -170.16 3.51 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.579 0 O-C-N 118.138 -2.851 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 61.8 m -82.18 117.66 22.49 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-N 113.0 -1.909 . . . . 0.0 111.22 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.91 164.78 26.82 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 105.087 -2.19 . . . . 0.0 105.087 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 12' ' ' VAL . 32.4 ttm180 -119.72 145.75 46.25 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 119.669 -0.813 . . . . 0.0 110.718 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.414 HD21 ' CG ' ' A' ' 14' ' ' TYR . 0.7 OUTLIER -142.91 171.66 13.76 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 125.197 1.561 . . . . 0.0 108.364 -179.749 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 97.4 m -129.12 143.87 51.01 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.448 -0.901 . . . . 0.0 111.794 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.469 ' HB3' ' HG2' ' A' ' 10' ' ' ARG . 24.5 t80 -98.9 81.1 2.58 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt 17.5 44.73 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.365 0 O-C-N 126.302 2.251 . . . . 0.0 115.807 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' TYR . 37.7 tt0 170.55 -53.06 0.01 OUTLIER 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 112.463 -2.153 . . . . 0.0 105.958 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.469 ' HG2' ' HB3' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -100.05 170.18 8.67 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.599 -179.696 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 68.7 m -133.2 130.88 39.68 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 105.24 -2.133 . . . . 0.0 105.24 179.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.492 ' O ' ' HG3' ' A' ' 4' ' ' ARG . 1.1 m -137.74 161.43 33.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 CA-C-N 113.348 -1.751 . . . . 0.0 111.65 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.9 m -107.02 146.1 31.53 Favored 'General case' 0 C--N 1.288 -2.094 0 CA-C-N 111.542 -2.572 . . . . 0.0 104.426 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.414 ' CG ' HD21 ' A' ' 5' ' ' LEU . 1.6 m-85 -131.99 135.15 46.34 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 105.005 -2.221 . . . . 0.0 105.005 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 4.6 t -125.03 112.45 16.56 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 101.834 -3.395 . . . . 0.0 101.834 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -99.28 26.4 6.01 Favored 'General case' 0 N--CA 1.509 2.511 0 CA-C-O 123.691 1.71 . . . . 0.0 109.69 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -134.58 49.29 0.91 Allowed Glycine 0 N--CA 1.497 2.76 0 CA-C-N 110.767 -2.924 . . . . 0.0 107.599 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -114.33 66.4 0.67 Allowed 'General case' 0 N--CA 1.501 2.107 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.716 0 O-C-N 118.729 -2.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . 0.255 . . . . . . . 0 C--O 1.216 -0.69 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 76.3 m -99.38 135.99 39.98 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-N 112.931 -1.941 . . . . 0.0 110.427 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.95 162.0 34.48 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 105.731 -1.951 . . . . 0.0 105.731 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 5' ' ' LEU . 27.9 ttm180 -111.86 149.25 32.08 Favored 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.474 ' N ' HD23 ' A' ' 5' ' ' LEU . 2.2 pt? -147.55 163.09 37.65 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 95.4 m -127.75 137.57 52.48 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 117.669 -1.613 . . . . 0.0 109.693 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 9' ' ' GLN . 41.3 t80 -89.31 74.88 7.81 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? 35.11 13.92 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.364 0 N-CA-C 117.298 2.333 . . . . 0.0 117.298 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -168.38 -47.53 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -90.94 165.53 13.52 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 111.193 -2.73 . . . . 0.0 108.759 -179.869 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 86.8 m -137.65 133.54 34.41 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 126.4 2.312 . . . . 0.0 105.65 179.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.459 HG23 ' CD2' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -137.93 179.22 3.61 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 125.57 1.794 . . . . 0.0 109.947 -179.482 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.3 m -121.72 147.27 46.12 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 105.178 -2.156 . . . . 0.0 105.178 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.466 ' CD1' HD21 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -128.14 120.53 27.53 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 103.329 -2.841 . . . . 0.0 103.329 179.718 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 77.4 m -119.53 118.52 31.28 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 101.958 -3.349 . . . . 0.0 101.958 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -102.29 23.7 11.35 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 122.777 1.275 . . . . 0.0 108.975 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -135.9 161.11 24.79 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 107.584 -2.206 . . . . 0.0 107.584 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -124.84 161.48 26.42 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.559 0 O-C-N 118.598 -2.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.575 0 CA-C-O 123.889 1.804 . . . . 0.0 107.651 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 81.6 m -91.18 125.91 36.11 Favored 'General case' 0 C--N 1.281 -2.412 0 CA-C-N 110.188 -3.187 . . . . 0.0 109.547 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.07 167.59 21.76 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 113.506 -1.679 . . . . 0.0 108.575 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.3 ttt-85 -105.31 142.03 35.79 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.453 ' N ' HD23 ' A' ' 5' ' ' LEU . 2.4 pt? -144.79 166.48 25.1 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.629 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 71.7 m -130.55 151.28 51.19 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 119.722 -0.791 . . . . 0.0 108.95 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.51 ' HB3' ' HG2' ' A' ' 10' ' ' ARG . 3.8 t80 -97.38 62.09 1.72 Allowed 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 102.522 -3.14 . . . . 0.0 102.522 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? 32.04 51.03 0.18 Allowed 'General case' 0 N--CA 1.503 2.217 0 CA-C-N 113.815 -1.539 . . . . 0.0 112.868 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? 169.81 -62.55 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 CA-C-N 111.415 -2.63 . . . . 0.0 107.727 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.51 ' HG2' ' HB3' ' A' ' 7' ' ' TYR . 14.4 ptt85 -99.95 167.31 10.58 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.16 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.629 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 76.5 m -132.18 137.97 47.83 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 124.157 0.911 . . . . 0.0 112.809 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.421 HG23 ' CD2' ' A' ' 5' ' ' LEU . 1.2 m -136.71 -175.76 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 C-N-CA 126.591 1.956 . . . . 0.0 112.649 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.1 m -126.39 145.67 50.37 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 113.196 -1.82 . . . . 0.0 106.108 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 1.0 OUTLIER -127.03 132.1 50.81 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 104.802 -2.295 . . . . 0.0 104.802 179.701 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 32.9 m -120.21 97.27 5.51 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 125.085 1.49 . . . . 0.0 108.323 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -90.61 64.15 5.65 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 125.324 2.488 . . . . 0.0 105.699 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 166.07 -178.41 40.72 Favored Glycine 0 N--CA 1.492 2.395 1 CA-C-N 108.141 -4.118 . . . . 0.0 109.476 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 122.28 56.21 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.637 0 N-CA-C 104.458 -2.423 . . . . 0.0 104.458 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.637 0 O-C-N 118.499 -2.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . 0.25 . . . . . . . 0 C--O 1.217 -0.61 0 CA-C-O 122.316 1.055 . . . . 0.0 108.884 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 71.6 m -104.27 135.67 45.3 Favored 'General case' 0 C--N 1.288 -2.094 0 CA-C-N 112.092 -2.322 . . . . 0.0 108.178 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -142.88 158.76 43.3 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 105.1 -2.185 . . . . 0.0 105.1 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.452 ' HG2' ' N ' ' A' ' 5' ' ' LEU . 8.8 ttm180 -102.71 150.74 23.16 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 105.345 -2.094 . . . . 0.0 105.345 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.602 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.1 pt? -151.56 166.79 30.1 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 113.473 -1.694 . . . . 0.0 108.444 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.596 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 72.3 m -130.04 147.02 51.74 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.71 95.24 5.43 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt 69.25 -62.22 0.41 Allowed 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 113.481 -1.69 . . . . 0.0 111.534 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -137.74 -11.68 1.55 Allowed 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 6' ' ' CYS . 8.2 ptp180 -101.87 159.25 15.5 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.596 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 84.0 m -126.53 135.73 51.67 Favored 'General case' 0 C--N 1.291 -1.939 0 O-C-N 124.332 1.02 . . . . 0.0 108.872 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.456 HG23 ' HG ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -136.34 -179.78 3.28 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 CA-C-N 112.121 -2.309 . . . . 0.0 111.298 -179.445 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.2 m -124.14 144.52 49.85 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 112.985 -1.916 . . . . 0.0 107.429 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -128.87 133.01 47.78 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 103.068 -2.938 . . . . 0.0 103.068 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 67.5 m -125.26 116.86 22.63 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 101.379 -3.563 . . . . 0.0 101.379 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -66.3 162.37 20.31 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 122.918 1.342 . . . . 0.0 109.061 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 137.7 -93.68 0.21 Allowed Glycine 0 N--CA 1.492 2.417 0 CA-C-N 113.43 -1.714 . . . . 0.0 109.32 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -130.34 -176.6 4.01 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.626 0 O-C-N 118.573 -2.579 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_