data_2m2s_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 2m2s _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.759 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 52.2 t -98.91 113.9 35.09 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.8 m -98.77 106.98 19.31 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-O 121.584 0.707 . . . . 0.0 109.883 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 . . . . . 0 C--N 1.297 -1.711 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.117 179.425 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 . . . . . 0 N--CA 1.439 -0.983 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 52.48 69.06 0.73 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.356 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.47 -36.22 4.13 Favored Glycine 0 C--N 1.311 -0.812 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.146 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.5 t . . . . . 0 C--O 1.239 0.544 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.439 -0.996 0 CA-C-O 121.191 0.52 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.2 m -100.39 105.2 16.67 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 175.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -131.32 118.83 20.88 Favored 'General case' 0 N--CA 1.417 -2.116 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.976 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 . . . . . 0 C--N 1.31 -1.15 0 CA-C-N 114.493 -1.231 . . . . 0.0 110.21 176.489 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.4 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.2 t -96.45 115.76 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.688 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.5 m -101.58 125.53 48.24 Favored 'General case' 0 C--N 1.284 -2.254 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? . . . . . 0 C--N 1.294 -1.826 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.656 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 . . . . . 0 N--CA 1.442 -0.842 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 66.62 26.32 9.76 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-O 122.118 0.961 . . . . 0.0 109.831 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.26 2.43 90.37 Favored Glycine 0 N--CA 1.441 -1.014 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.086 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.9 t . . . . . 0 C--N 1.308 -1.218 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.679 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 49.0 t . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.1 m -105.71 110.54 22.88 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.26 0.552 . . . . 0.0 110.21 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -136.49 123.97 22.15 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 . . . . . 0 CA--C 1.547 0.858 0 CA-C-O 122.576 1.179 . . . . 0.0 109.723 176.94 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.528 0 CA-C-O 121.057 0.254 . . . . 0.0 112.59 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.0 t -106.45 107.97 24.01 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.4 m -94.29 107.73 19.66 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-O 121.32 0.581 . . . . 0.0 109.838 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.516 ' HA ' ' HE ' ' A' ' 4' ' ' ARG . 1.7 tpm_? . . . . . 0 C--N 1.297 -1.7 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.406 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? . . . . . 0 N--CA 1.442 -0.85 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 58.18 53.78 6.33 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.809 -175.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.19 -37.98 3.25 Favored Glycine 0 C--N 1.315 -0.607 0 CA-C-N 115.206 -0.907 . . . . 0.0 113.392 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.0 t . . . . . 0 C--N 1.317 -0.832 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -177.901 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.426 -1.668 0 CA-C-O 121.362 0.601 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 99.8 m -103.6 109.75 21.55 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -143.28 129.55 19.87 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.303 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 . . . . . 0 N--CA 1.476 0.836 0 C-N-CA 124.002 0.921 . . . . 0.0 110.694 176.9 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.707 0 CA-C-O 120.305 -0.164 . . . . 0.0 113.445 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 98.8 t -84.94 113.76 24.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.2 m -112.66 119.86 39.56 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.819 -176.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 . . . . . 0 C--N 1.315 -0.895 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 176.144 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 . . . . . 0 N--CA 1.436 -1.16 0 CA-C-O 121.381 0.61 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 53.94 66.02 1.35 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.086 1.355 . . . . 0.0 111.671 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.31 -26.23 18.52 Favored Glycine 0 C--N 1.311 -0.851 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.174 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.9 t . . . . . 0 C--N 1.309 -1.163 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.892 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.445 -0.698 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.6 m -118.28 139.67 50.98 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 120.826 0.345 . . . . 0.0 111.474 -176.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -138.86 109.58 6.66 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.302 175.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 . . . . . 0 CA--C 1.546 0.813 0 C-N-CA 124.584 1.154 . . . . 0.0 110.47 179.854 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.699 0 N-CA-C 113.732 0.253 . . . . 0.0 113.732 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.0 t -124.93 114.56 40.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 O-C-N 122.008 -0.701 . . . . 0.0 109.854 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.0 m -94.2 112.82 24.66 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.052 0.453 . . . . 0.0 110.404 176.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 . . . . . 0 C--N 1.309 -1.169 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.971 177.619 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 . . . . . 0 N--CA 1.439 -0.99 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 59.35 65.99 1.09 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.015 0.926 . . . . 0.0 110.969 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.45 -29.14 4.08 Favored Glycine 0 C--N 1.311 -0.861 0 CA-C-N 115.84 -0.618 . . . . 0.0 113.445 176.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.316 -0.861 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 -179.696 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 N--CA 1.433 -1.316 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.0 m -93.06 105.95 17.98 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 174.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -127.68 122.02 31.9 Favored 'General case' 0 N--CA 1.419 -1.99 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.133 -178.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.9 ttt180 . . . . . 0 C--O 1.245 0.863 0 C-N-CA 125.018 1.327 . . . . 0.0 111.755 175.138 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.855 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.4 t -96.29 108.43 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.208 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.7 m -94.39 110.42 22.19 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.388 0.613 . . . . 0.0 109.898 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 . . . . . 0 C--N 1.296 -1.726 0 CA-C-N 115.3 -0.863 . . . . 0.0 108.715 -179.83 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 . . . . . 0 N--CA 1.429 -1.525 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 44.42 75.11 0.11 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 126.228 1.811 . . . . 0.0 112.838 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.94 -37.85 3.29 Favored Glycine 0 N--CA 1.436 -1.326 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.272 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.1 t . . . . . 0 C--N 1.312 -1.027 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.584 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.1 t . . . . . 0 N--CA 1.44 -0.969 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.2 m -105.23 106.28 16.7 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -132.19 127.38 35.72 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 . . . . . 0 CA--C 1.546 0.826 0 CA-C-O 122.431 1.11 . . . . 0.0 110.221 178.246 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.104 0 N-CA-C 112.584 -0.207 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 45.6 t -87.9 111.59 22.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 74.8 m -93.87 108.14 19.96 Favored 'General case' 0 C--N 1.282 -2.356 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.844 -175.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 . . . . . 0 N--CA 1.436 -1.166 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.453 -179.786 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 . . . . . 0 CA--C 1.497 -1.063 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? 60.86 25.73 15.64 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 122.169 0.985 . . . . 0.0 110.643 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.48 29.86 65.32 Favored Glycine 0 N--CA 1.441 -1.029 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.975 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 C--O 1.252 1.218 0 CA-C-O 121.259 0.552 . . . . 0.0 110.37 176.093 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 64.4 t . . . . . 0 N--CA 1.441 -0.876 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 62.1 m -95.17 117.72 30.72 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-O 121.536 0.684 . . . . 0.0 111.241 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -115.47 108.11 16.05 Favored 'General case' 0 N--CA 1.428 -1.556 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 . . . . . 0 CA--C 1.554 1.117 0 C-N-CA 124.604 1.162 . . . . 0.0 110.946 -179.708 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.154 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.7 t -95.3 108.08 20.44 Favored 'Isoleucine or valine' 0 C--O 1.25 1.115 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 97.1 m -91.62 112.65 24.66 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.409 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 . . . . . 0 N--CA 1.424 -1.749 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.305 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.614 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 1.9 tpm_? . . . . . 0 N--CA 1.418 -2.053 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 55.92 71.64 0.54 Allowed 'General case' 0 C--O 1.248 0.981 0 C-N-CA 125.546 1.538 . . . . 0.0 111.386 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.84 -41.47 2.21 Favored Glycine 0 C--N 1.305 -1.164 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.776 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.3 t . . . . . 0 C--N 1.307 -1.267 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.916 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.433 -1.297 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.6 m -111.38 121.4 45.13 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -138.55 133.93 33.21 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? . . . . . 0 N--CA 1.483 1.22 0 C-N-CA 124.079 0.951 . . . . 0.0 110.537 -179.473 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.235 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.9 t -103.48 122.18 55.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.0 m -92.89 104.59 16.82 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.835 0.826 . . . . 0.0 110.056 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 . . . . . 0 N--CA 1.429 -1.502 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.771 -175.168 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 . . . . . 0 N--CA 1.445 -0.709 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 57.31 57.14 4.63 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.959 0.904 . . . . 0.0 110.715 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.44 -33.78 4.79 Favored Glycine 0 C--N 1.309 -0.948 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.591 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.4 t . . . . . 0 C--N 1.32 -0.686 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.178 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.439 -0.976 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.8 m -104.17 110.35 22.52 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 121.127 0.489 . . . . 0.0 110.603 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -129.43 134.52 47.88 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.4 tpp180 . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 122.179 0.99 . . . . 0.0 109.893 -178.068 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.978 0 N-CA-C 114.42 0.528 . . . . 0.0 114.42 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 8.0 p -107.09 128.35 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 117.812 0.806 . . . . 0.0 110.203 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 99.0 m -110.1 115.15 29.24 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.418 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 . . . . . 0 C--N 1.297 -1.7 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.59 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 . . . . . 0 N--CA 1.44 -0.932 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 62.06 34.86 16.24 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 122.52 1.153 . . . . 0.0 109.36 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.03 -14.7 58.24 Favored Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 114.859 -1.064 . . . . 0.0 112.478 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.0 t . . . . . 0 C--N 1.311 -1.105 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -178.942 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 65.5 t . . . . . 0 N--CA 1.44 -0.968 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 2' ' ' VAL . 90.4 m -112.3 106.9 15.56 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.8 ptt85 -144.99 139.05 27.23 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 . . . . . 0 CA--C 1.553 1.073 0 CA-C-O 122.184 0.992 . . . . 0.0 110.443 -179.4 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.666 0 CA-C-O 119.83 -0.428 . . . . 0.0 113.614 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.8 p -101.19 132.03 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.801 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 77.9 m -110.51 139.51 45.68 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.688 -177.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 . . . . . 0 C--N 1.303 -1.414 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.481 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 . . . . . 0 N--CA 1.436 -1.168 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 57.63 54.26 6.53 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 124.153 0.981 . . . . 0.0 110.021 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.78 -24.04 22.82 Favored Glycine 0 C--N 1.313 -0.706 0 CA-C-N 115.51 -0.768 . . . . 0.0 113.092 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 70.4 t . . . . . 0 C--N 1.314 -0.965 0 CA-C-O 120.892 0.377 . . . . 0.0 110.339 -178.648 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 17.8 m . . . . . 0 N--CA 1.432 -1.366 0 CA-C-O 121.036 0.446 . . . . 0.0 110.784 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.5 m -109.79 115.43 29.83 Favored 'General case' 0 C--N 1.287 -2.144 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -132.61 121.23 22.88 Favored 'General case' 0 N--CA 1.424 -1.73 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -176.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.455 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 2.0 tpm_? . . . . . 0 CA--C 1.555 1.137 0 CA-C-O 122.664 1.221 . . . . 0.0 111.549 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.314 0 N-CA-C 113.595 0.198 . . . . 0.0 113.595 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 p -138.72 135.49 43.28 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 CA-C-N 117.434 0.617 . . . . 0.0 111.345 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.1 m -91.74 105.32 17.63 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 121.759 0.79 . . . . 0.0 109.13 176.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 . . . . . 0 C--N 1.306 -1.325 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.532 -175.172 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 . . . . . 0 N--CA 1.432 -1.338 0 CA-C-O 121.313 0.578 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 56.63 59.21 3.68 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.418 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.13 -34.62 5.25 Favored Glycine 0 C--N 1.305 -1.187 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.143 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.319 -0.743 0 C-N-CA 122.556 0.342 . . . . 0.0 110.505 -179.118 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.445 -0.693 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.3 m -98.06 104.37 16.4 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.136 0.493 . . . . 0.0 109.878 179.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -133.22 139.37 46.94 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.267 -177.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 . . . . . 0 CA--C 1.549 0.922 0 CA-C-O 121.655 0.741 . . . . 0.0 112.877 170.101 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.606 0 CA-C-O 119.807 -0.441 . . . . 0.0 113.314 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.1 m -116.28 145.46 22.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 117.864 0.832 . . . . 0.0 112.321 -176.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.43 ' O ' ' HD2' ' A' ' 4' ' ' ARG . 69.4 m -104.78 132.44 51.02 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.511 178.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.43 ' HD2' ' O ' ' A' ' 3' ' ' CYS . 15.8 mmm180 . . . . . 0 C--N 1.319 -0.718 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 . . . . . 0 N--CA 1.423 -1.816 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 62.4 30.76 17.39 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 124.238 1.015 . . . . 0.0 110.734 175.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.87 -4.34 78.5 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.533 -0.842 . . . . 0.0 113.633 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.443 -0.798 0 CA-C-N 117.436 0.618 . . . . 0.0 110.55 178.737 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.428 -1.542 0 CA-C-O 121.252 0.549 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.5 m -106.65 117.5 34.2 Favored 'General case' 0 C--N 1.281 -2.385 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -150.97 143.78 24.5 Favored 'General case' 0 N--CA 1.432 -1.332 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 . . . . . 0 CA--C 1.547 0.857 0 CA-C-O 122.01 0.91 . . . . 0.0 109.744 176.692 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.6 t -101.93 111.57 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.9 m -101.83 130.98 48.41 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 . . . . . 0 C--N 1.306 -1.291 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 176.51 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 . . . . . 0 N--CA 1.434 -1.229 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 66.02 27.47 10.66 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 122.726 1.25 . . . . 0.0 110.249 -178.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.22 -3.95 86.45 Favored Glycine 0 N--CA 1.442 -0.902 0 CA-C-N 115.079 -0.964 . . . . 0.0 113.796 175.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 m . . . . . 0 C--N 1.304 -1.411 0 CA-C-N 117.495 0.648 . . . . 0.0 110.526 -179.46 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.9 t . . . . . 0 N--CA 1.445 -0.684 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.1 m -110.82 118.73 36.91 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -147.4 134.3 20.2 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 . . . . . 0 CA--C 1.551 1.001 0 CA-C-O 122.361 1.076 . . . . 0.0 110.183 -178.724 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.644 0 N-CA-C 111.818 -0.513 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.7 t -95.44 123.6 47.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 87.5 m -113.87 123.95 51.02 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.331 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--N 1.305 -1.333 0 CA-C-O 121.19 0.519 . . . . 0.0 109.985 -178.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 . . . . . 0 N--CA 1.431 -1.413 0 CA-C-O 121.561 0.696 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 58.99 65.32 1.23 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.086 -1.415 . . . . 0.0 110.857 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.21 -28.42 5.66 Favored Glycine 0 C--N 1.309 -0.953 0 CA-C-N 115.15 -0.932 . . . . 0.0 113.25 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.316 -0.864 0 O-C-N 122.537 -0.39 . . . . 0.0 110.244 -178.365 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 32.2 m . . . . . 0 N--CA 1.445 -0.701 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.5 m -133.7 133.97 42.49 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 123.067 0.229 . . . . 0.0 110.645 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -159.91 137.66 9.9 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 174.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 122.166 0.984 . . . . 0.0 109.883 179.233 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.31 0 N-CA-C 111.823 -0.511 . . . . 0.0 111.823 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 p -116.26 140.85 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.3 m -105.72 132.91 51.27 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.134 0.492 . . . . 0.0 111.135 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 . . . . . 0 C--N 1.305 -1.349 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 177.807 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 . . . . . 0 N--CA 1.438 -1.026 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 53.96 71.78 0.49 Allowed 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 114.294 -1.321 . . . . 0.0 111.038 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.45 -36.91 3.6 Favored Glycine 0 C--N 1.309 -0.958 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.743 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.3 t . . . . . 0 C--N 1.317 -0.81 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -179.386 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.441 -0.892 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.3 m -105.51 120.51 41.81 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 121.272 0.558 . . . . 0.0 110.402 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -142.26 136.85 30.21 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 . . . . . 0 N--CA 1.483 1.202 0 C-N-CA 123.924 0.89 . . . . 0.0 110.587 178.534 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.649 0 N-CA-C 112.904 -0.078 . . . . 0.0 112.904 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.2 p -98.66 124.59 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.208 0 C-N-CA 119.681 -0.808 . . . . 0.0 112.079 -175.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 72.5 m -98.27 122.76 41.84 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 176.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? . . . . . 0 C--N 1.298 -1.634 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.562 -177.943 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 . . . . . 0 N--CA 1.441 -0.905 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 61.94 30.32 18.05 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.432 1.093 . . . . 0.0 110.271 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.09 22.21 78.9 Favored Glycine 0 CA--C 1.524 0.621 0 CA-C-N 115.549 -0.751 . . . . 0.0 113.4 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.4 p . . . . . 0 C--N 1.31 -1.135 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 177.536 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 31.6 m . . . . . 0 N--CA 1.432 -1.331 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.0 m -115.06 112.99 23.46 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 176.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -146.06 136.08 23.59 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 3.4 tpm_? . . . . . 0 CA--C 1.546 0.826 0 CA-C-O 121.961 0.886 . . . . 0.0 109.839 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.852 0 CA-C-O 120.346 -0.141 . . . . 0.0 113.0 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 13.2 p -106.24 141.46 21.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.7 m -119.42 119.02 32.7 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.036 0.446 . . . . 0.0 110.675 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 . . . . . 0 C--N 1.298 -1.649 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.422 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 . . . . . 0 N--CA 1.438 -1.047 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 71.67 26.26 3.13 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 122.791 1.281 . . . . 0.0 108.88 -176.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.61 36.95 93.77 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 114.133 -1.394 . . . . 0.0 113.64 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.305 -1.337 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.926 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 0 N--CA 1.424 -1.731 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 2' ' ' VAL . 83.2 m -105.01 117.47 34.07 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 174.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -147.28 134.65 20.72 Favored 'General case' 0 N--CA 1.425 -1.681 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 . . . . . 0 CA--C 1.556 1.18 0 C-N-CA 123.939 0.896 . . . . 0.0 111.193 176.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.026 0 CA-C-O 119.889 -0.395 . . . . 0.0 113.851 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 17' ' ' ARG . 29.5 m -101.63 132.22 47.95 Favored 'Isoleucine or valine' 0 C--O 1.247 0.953 0 CA-C-N 118.127 0.963 . . . . 0.0 109.636 177.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.8 m -117.66 140.7 49.3 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.603 -176.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 . . . . . 0 N--CA 1.425 -1.675 0 CA-C-N 115.057 -0.974 . . . . 0.0 108.62 173.815 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 . . . . . 0 N--CA 1.431 -1.398 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.503 ' HA ' ' NE ' ' A' ' 9' ' ' ARG . 2.2 tpm_? 61.95 31.78 18.0 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 122.316 1.055 . . . . 0.0 109.574 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.67 -16.99 52.46 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.548 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.304 -1.398 0 O-C-N 122.536 -0.39 . . . . 0.0 110.25 -176.124 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 t . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.9 m -116.54 136.5 52.93 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-O 120.535 0.207 . . . . 0.0 110.729 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.424 ' O ' HG22 ' A' ' 2' ' ' VAL . 12.0 ptp180 -154.07 132.41 11.96 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 175.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 . . . . . 0 CA--C 1.549 0.921 0 C-N-CA 124.057 0.943 . . . . 0.0 109.856 179.759 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.678 0 CA-C-O 120.045 -0.308 . . . . 0.0 113.577 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.5 m -98.53 119.27 46.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 118.064 0.932 . . . . 0.0 113.031 -175.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 2.6 m -80.0 105.47 11.3 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.994 177.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 . . . . . 0 N--CA 1.427 -1.602 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.467 178.662 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 . . . . . 0 N--CA 1.429 -1.493 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 59.63 29.72 19.29 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-O 122.229 1.014 . . . . 0.0 109.597 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.99 6.19 81.92 Favored Glycine 0 CA--C 1.521 0.433 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.66 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.8 t . . . . . 0 N--CA 1.438 -1.072 0 C-N-CA 123.57 0.748 . . . . 0.0 109.389 -178.597 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.525 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 27.3 m . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.589 0.233 . . . . 0.0 111.621 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.9 m -88.98 106.12 18.22 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-O 121.216 0.531 . . . . 0.0 109.961 176.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -117.33 124.82 49.89 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 177.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 . . . . . 0 CA--C 1.546 0.817 0 CA-C-O 122.618 1.199 . . . . 0.0 108.502 -175.623 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.759 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 52.2 t -98.91 113.9 35.09 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.8 m -98.77 106.98 19.31 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-O 121.584 0.707 . . . . 0.0 109.883 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -104.9 109.97 22.16 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.117 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.4 t -93.72 142.65 13.0 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -113.35 74.81 0.88 Allowed 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 52.48 69.06 0.73 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.356 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.47 -36.22 4.13 Favored Glycine 0 C--N 1.311 -0.812 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.146 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.5 t -75.49 91.03 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.544 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -132.85 96.12 3.72 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.2 m -102.76 118.22 49.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-O 121.191 0.52 . . . . 0.0 111.433 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.2 m -100.39 105.2 16.67 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 175.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -131.32 118.83 20.88 Favored 'General case' 0 N--CA 1.417 -2.116 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.976 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 . . . . . 0 C--N 1.31 -1.15 0 CA-C-N 114.493 -1.231 . . . . 0.0 110.21 176.489 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.4 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.2 t -96.45 115.76 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.688 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.5 m -101.58 125.53 48.24 Favored 'General case' 0 C--N 1.284 -2.254 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -113.5 109.37 18.54 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.1 t -110.45 153.71 12.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -126.85 116.62 21.13 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 66.62 26.32 9.76 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-O 122.118 0.961 . . . . 0.0 109.831 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.26 2.43 90.37 Favored Glycine 0 N--CA 1.441 -1.014 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.086 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.9 t -98.05 122.74 50.01 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.218 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -113.98 102.61 10.35 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 49.0 t -96.8 116.14 38.17 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.326 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.486 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.1 m -105.71 110.54 22.88 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.26 0.552 . . . . 0.0 110.21 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -136.49 123.97 22.15 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 . . . . . 0 CA--C 1.547 0.858 0 CA-C-O 122.576 1.179 . . . . 0.0 109.723 176.94 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.528 0 CA-C-O 121.057 0.254 . . . . 0.0 112.59 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.0 t -106.45 107.97 24.01 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.4 m -94.29 107.73 19.66 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-O 121.32 0.581 . . . . 0.0 109.838 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.516 ' HA ' ' HE ' ' A' ' 4' ' ' ARG . 1.7 tpm_? -104.91 110.06 22.28 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.406 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . 0.457 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.7 t -92.88 143.41 11.48 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -92.85 75.33 4.87 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 58.18 53.78 6.33 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.809 -175.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.19 -37.98 3.25 Favored Glycine 0 C--N 1.315 -0.607 0 CA-C-N 115.206 -0.907 . . . . 0.0 113.392 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.0 t -75.42 132.83 32.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -119.25 87.51 2.75 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 176.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . 0.457 ' HA ' ' HA ' ' A' ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.8 m -94.89 115.07 32.81 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.87 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.916 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 99.8 m -103.6 109.75 21.55 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -143.28 129.55 19.87 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.303 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 . . . . . 0 N--CA 1.476 0.836 0 C-N-CA 124.002 0.921 . . . . 0.0 110.694 176.9 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.707 0 CA-C-O 120.305 -0.164 . . . . 0.0 113.445 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 98.8 t -84.94 113.76 24.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.2 m -112.66 119.86 39.56 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.819 -176.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -107.38 133.59 51.68 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 176.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 31.3 m -102.01 131.71 49.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 CA-C-O 121.127 0.489 . . . . 0.0 110.483 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -98.22 71.66 2.1 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.381 0.61 . . . . 0.0 110.246 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 53.94 66.02 1.35 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.086 1.355 . . . . 0.0 111.671 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.31 -26.23 18.52 Favored Glycine 0 C--N 1.311 -0.851 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.174 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.9 t -89.27 98.49 8.12 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 tpp85 -133.36 130.49 38.88 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.598 -176.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.2 m -98.72 131.03 46.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.6 m -118.28 139.67 50.98 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 120.826 0.345 . . . . 0.0 111.474 -176.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -138.86 109.58 6.66 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.302 175.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 . . . . . 0 CA--C 1.546 0.813 0 C-N-CA 124.584 1.154 . . . . 0.0 110.47 179.854 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.699 0 N-CA-C 113.732 0.253 . . . . 0.0 113.732 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.0 t -124.93 114.56 40.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 O-C-N 122.008 -0.701 . . . . 0.0 109.854 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.0 m -94.2 112.82 24.66 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.052 0.453 . . . . 0.0 110.404 176.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -107.45 109.72 21.49 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.971 177.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.4 t -104.89 130.04 56.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . 0.414 ' HA ' ' O ' ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -121.16 95.01 4.52 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 59.35 65.99 1.09 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.015 0.926 . . . . 0.0 110.969 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.45 -29.14 4.08 Favored Glycine 0 C--N 1.311 -0.861 0 CA-C-N 115.84 -0.618 . . . . 0.0 113.445 176.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 7' ' ' ABA . 46.7 t -78.5 105.36 7.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -117.48 86.61 2.55 Favored 'General case' 0 C--N 1.28 -2.451 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.8 t -102.46 112.09 34.55 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.713 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.0 m -93.06 105.95 17.98 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 174.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -127.68 122.02 31.9 Favored 'General case' 0 N--CA 1.419 -1.99 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.133 -178.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.9 ttt180 . . . . . 0 C--O 1.245 0.863 0 C-N-CA 125.018 1.327 . . . . 0.0 111.755 175.138 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.855 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.4 t -96.29 108.43 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.208 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.7 m -94.39 110.42 22.19 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.388 0.613 . . . . 0.0 109.898 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -106.9 109.67 21.63 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 115.3 -0.863 . . . . 0.0 108.715 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 m -82.84 103.48 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 CA-C-O 122.017 0.913 . . . . 0.0 108.986 176.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -119.59 84.02 2.14 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 115.138 -0.937 . . . . 0.0 108.739 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 44.42 75.11 0.11 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 126.228 1.811 . . . . 0.0 112.838 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.94 -37.85 3.29 Favored Glycine 0 N--CA 1.436 -1.326 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.272 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.1 t -83.89 99.2 6.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -135.5 120.73 18.97 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 176.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.1 t -90.18 110.27 21.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.481 -176.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.2 m -105.23 106.28 16.7 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -132.19 127.38 35.72 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 . . . . . 0 CA--C 1.546 0.826 0 CA-C-O 122.431 1.11 . . . . 0.0 110.221 178.246 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.104 0 N-CA-C 112.584 -0.207 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 45.6 t -87.9 111.59 22.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.469 ' HB3' ' CG ' ' A' ' 14' ' ' ABA . 74.8 m -93.87 108.14 19.96 Favored 'General case' 0 C--N 1.282 -2.356 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.844 -175.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -106.15 124.49 49.66 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.453 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . 0.439 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -120.7 142.24 37.54 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-O 121.64 0.733 . . . . 0.0 110.604 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -134.04 141.11 47.08 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? 60.86 25.73 15.64 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 122.169 0.985 . . . . 0.0 110.643 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.48 29.86 65.32 Favored Glycine 0 N--CA 1.441 -1.029 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.975 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.5 p -144.62 133.33 18.08 Favored 'Isoleucine or valine' 0 C--O 1.252 1.218 0 CA-C-O 121.259 0.552 . . . . 0.0 110.37 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -113.19 131.42 55.88 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 -176.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . 0.469 ' CG ' ' HB3' ' A' ' 3' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 64.4 t -107.7 120.0 58.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 62.1 m -95.17 117.72 30.72 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-O 121.536 0.684 . . . . 0.0 111.241 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -115.47 108.11 16.05 Favored 'General case' 0 N--CA 1.428 -1.556 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 . . . . . 0 CA--C 1.554 1.117 0 C-N-CA 124.604 1.162 . . . . 0.0 110.946 -179.708 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.154 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.7 t -95.3 108.08 20.44 Favored 'Isoleucine or valine' 0 C--O 1.25 1.115 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 97.1 m -91.62 112.65 24.66 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.409 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -111.05 123.18 49.68 Favored 'General case' 0 N--CA 1.424 -1.749 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.4 m -93.5 108.86 21.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 CA-C-O 122.062 0.934 . . . . 0.0 109.472 178.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.614 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 1.9 tpm_? -122.21 68.72 0.94 Allowed 'General case' 0 N--CA 1.418 -2.053 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 174.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 55.92 71.64 0.54 Allowed 'General case' 0 C--O 1.248 0.981 0 C-N-CA 125.546 1.538 . . . . 0.0 111.386 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.84 -41.47 2.21 Favored Glycine 0 C--N 1.305 -1.164 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.776 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.3 t -79.38 104.3 7.29 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -105.56 96.23 6.36 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 174.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -118.76 124.51 73.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.6 m -111.38 121.4 45.13 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -138.55 133.93 33.21 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? . . . . . 0 N--CA 1.483 1.22 0 C-N-CA 124.079 0.951 . . . . 0.0 110.537 -179.473 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.235 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.9 t -103.48 122.18 55.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.0 m -92.89 104.59 16.82 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.835 0.826 . . . . 0.0 110.056 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -95.74 125.19 40.15 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.771 -175.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.7 m -86.89 110.74 20.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 CA-C-O 121.893 0.854 . . . . 0.0 111.218 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -117.22 89.83 3.2 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 57.31 57.14 4.63 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.959 0.904 . . . . 0.0 110.715 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.44 -33.78 4.79 Favored Glycine 0 C--N 1.309 -0.948 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.591 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.4 t -75.68 107.24 6.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -92.46 116.4 28.95 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.866 -176.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 p -136.26 132.65 49.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.274 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.8 m -104.17 110.35 22.52 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 121.127 0.489 . . . . 0.0 110.603 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -129.43 134.52 47.88 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.4 tpp180 . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 122.179 0.99 . . . . 0.0 109.893 -178.068 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.978 0 N-CA-C 114.42 0.528 . . . . 0.0 114.42 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 8.0 p -107.09 128.35 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 117.812 0.806 . . . . 0.0 110.203 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 99.0 m -110.1 115.15 29.24 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.418 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -118.03 110.25 17.44 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.3 p -121.09 136.48 57.9 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 CA-C-O 121.562 0.696 . . . . 0.0 110.546 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . 0.423 ' HA ' ' HA ' ' A' ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -117.42 111.89 19.92 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.204 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 62.06 34.86 16.24 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 122.52 1.153 . . . . 0.0 109.36 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.03 -14.7 58.24 Favored Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 114.859 -1.064 . . . . 0.0 112.478 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.0 t -86.3 98.12 6.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -178.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . 0.423 ' HA ' ' HA ' ' A' ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -92.69 122.3 34.97 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 -176.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 65.5 t -94.62 110.01 23.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 2' ' ' VAL . 90.4 m -112.3 106.9 15.56 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.8 ptt85 -144.99 139.05 27.23 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 . . . . . 0 CA--C 1.553 1.073 0 CA-C-O 122.184 0.992 . . . . 0.0 110.443 -179.4 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.666 0 CA-C-O 119.83 -0.428 . . . . 0.0 113.614 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.8 p -101.19 132.03 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.801 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 77.9 m -110.51 139.51 45.68 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.688 -177.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -134.34 120.16 19.55 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.6 m -102.43 154.21 5.25 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.84 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . 0.411 ' HA ' ' O ' ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -96.15 92.92 6.64 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.064 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 57.63 54.26 6.53 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 124.153 0.981 . . . . 0.0 110.021 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.78 -24.04 22.82 Favored Glycine 0 C--N 1.313 -0.706 0 CA-C-N 115.51 -0.768 . . . . 0.0 113.092 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 7' ' ' ABA . 70.4 t -80.04 103.31 6.86 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-O 120.892 0.377 . . . . 0.0 110.339 -178.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -116.9 109.9 17.64 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.665 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 17.8 m -102.11 118.04 48.35 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.784 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.5 m -109.79 115.43 29.83 Favored 'General case' 0 C--N 1.287 -2.144 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -132.61 121.23 22.88 Favored 'General case' 0 N--CA 1.424 -1.73 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -176.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.455 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 2.0 tpm_? . . . . . 0 CA--C 1.555 1.137 0 CA-C-O 122.664 1.221 . . . . 0.0 111.549 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.314 0 N-CA-C 113.595 0.198 . . . . 0.0 113.595 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 p -138.72 135.49 43.28 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 CA-C-N 117.434 0.617 . . . . 0.0 111.345 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.1 m -91.74 105.32 17.63 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 121.759 0.79 . . . . 0.0 109.13 176.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.434 ' O ' ' HA ' ' A' ' 14' ' ' ABA . 30.3 mmm180 -95.08 114.38 26.18 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.532 -175.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . 0.408 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.4 t -94.51 136.14 26.68 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -99.07 83.04 2.82 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.313 0.578 . . . . 0.0 110.294 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 56.63 59.21 3.68 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.418 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.13 -34.62 5.25 Favored Glycine 0 C--N 1.305 -1.187 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.143 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t -73.26 98.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 122.556 0.342 . . . . 0.0 110.505 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -94.62 100.36 12.32 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.669 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . 0.434 ' HA ' ' O ' ' A' ' 4' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.2 t -110.73 133.91 54.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.3 m -98.06 104.37 16.4 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.136 0.493 . . . . 0.0 109.878 179.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -133.22 139.37 46.94 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.267 -177.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 . . . . . 0 CA--C 1.549 0.922 0 CA-C-O 121.655 0.741 . . . . 0.0 112.877 170.101 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.606 0 CA-C-O 119.807 -0.441 . . . . 0.0 113.314 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.1 m -116.28 145.46 22.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 117.864 0.832 . . . . 0.0 112.321 -176.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.43 ' O ' ' HD2' ' A' ' 4' ' ' ARG . 69.4 m -104.78 132.44 51.02 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.511 178.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.43 ' HD2' ' O ' ' A' ' 3' ' ' CYS . 15.8 mmm180 -128.19 123.86 35.34 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . 0.424 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.0 m -96.08 133.36 37.59 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.022 -176.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -114.1 117.56 31.6 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.02 -176.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 62.4 30.76 17.39 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 124.238 1.015 . . . . 0.0 110.734 175.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.87 -4.34 78.5 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.533 -0.842 . . . . 0.0 113.633 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.9 p -117.33 126.92 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 CA-C-N 117.436 0.618 . . . . 0.0 110.55 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -125.18 126.48 45.3 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.036 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . 0.424 ' HA ' ' HA ' ' A' ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.7 m -91.12 126.57 43.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.398 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.5 m -106.65 117.5 34.2 Favored 'General case' 0 C--N 1.281 -2.385 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -150.97 143.78 24.5 Favored 'General case' 0 N--CA 1.432 -1.332 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 . . . . . 0 CA--C 1.547 0.857 0 CA-C-O 122.01 0.91 . . . . 0.0 109.744 176.692 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.6 t -101.93 111.57 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.9 m -101.83 130.98 48.41 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -128.55 115.03 17.49 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . 0.439 ' HA ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.6 m -130.53 144.71 37.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . 0.466 ' HA ' ' O ' ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 -141.67 127.57 19.38 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 66.02 27.47 10.66 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 122.726 1.25 . . . . 0.0 110.249 -178.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.22 -3.95 86.45 Favored Glycine 0 N--CA 1.442 -0.902 0 CA-C-N 115.079 -0.964 . . . . 0.0 113.796 175.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 7' ' ' ABA . 21.3 m -113.0 136.89 47.86 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-N 117.495 0.648 . . . . 0.0 110.526 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 5' ' ' ABA . 25.7 tpt180 -101.2 113.81 27.2 Favored 'General case' 0 C--N 1.286 -2.169 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.468 -175.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.9 t -91.38 112.35 25.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.076 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.1 m -110.82 118.73 36.91 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -147.4 134.3 20.2 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 . . . . . 0 CA--C 1.551 1.001 0 CA-C-O 122.361 1.076 . . . . 0.0 110.183 -178.724 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.644 0 N-CA-C 111.818 -0.513 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.7 t -95.44 123.6 47.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 87.5 m -113.87 123.95 51.02 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.331 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -122.79 123.64 41.5 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-O 121.19 0.519 . . . . 0.0 109.985 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.7 m -103.78 113.99 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.784 0 CA-C-O 121.302 0.572 . . . . 0.0 109.691 177.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -108.64 89.25 2.94 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.561 0.696 . . . . 0.0 110.799 -177.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 58.99 65.32 1.23 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.086 -1.415 . . . . 0.0 110.857 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.21 -28.42 5.66 Favored Glycine 0 C--N 1.309 -0.953 0 CA-C-N 115.15 -0.932 . . . . 0.0 113.25 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t -84.02 104.78 12.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 O-C-N 122.537 -0.39 . . . . 0.0 110.244 -178.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -107.62 110.45 22.34 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.171 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 32.2 m -100.96 146.44 9.47 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.474 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.5 m -133.7 133.97 42.49 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 123.067 0.229 . . . . 0.0 110.645 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -159.91 137.66 9.9 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 174.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 122.166 0.984 . . . . 0.0 109.883 179.233 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.31 0 N-CA-C 111.823 -0.511 . . . . 0.0 111.823 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 p -116.26 140.85 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.3 m -105.72 132.91 51.27 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.134 0.492 . . . . 0.0 111.135 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -116.35 116.49 27.82 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 12' ' ' ABA . 3.9 p -78.68 128.59 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.792 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.473 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -89.95 68.17 7.26 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 53.96 71.78 0.49 Allowed 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 114.294 -1.321 . . . . 0.0 111.038 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.45 -36.91 3.6 Favored Glycine 0 C--N 1.309 -0.958 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.743 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.3 t -81.21 98.11 3.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . 0.423 ' HA ' ' O ' ' A' ' 6' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -140.57 124.14 17.01 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -102.25 124.32 56.09 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.647 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.3 m -105.51 120.51 41.81 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 121.272 0.558 . . . . 0.0 110.402 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -142.26 136.85 30.21 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 . . . . . 0 N--CA 1.483 1.202 0 C-N-CA 123.924 0.89 . . . . 0.0 110.587 178.534 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.649 0 N-CA-C 112.904 -0.078 . . . . 0.0 112.904 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.2 p -98.66 124.59 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.208 0 C-N-CA 119.681 -0.808 . . . . 0.0 112.079 -175.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 72.5 m -98.27 122.76 41.84 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 176.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -127.4 111.99 14.49 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.562 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -97.46 143.38 12.72 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -115.72 124.38 50.69 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -176.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 61.94 30.32 18.05 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.432 1.093 . . . . 0.0 110.271 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.09 22.21 78.9 Favored Glycine 0 CA--C 1.524 0.621 0 CA-C-N 115.549 -0.751 . . . . 0.0 113.4 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.4 p -136.66 143.24 35.86 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 177.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -117.68 89.66 3.17 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 31.6 m -108.84 138.76 34.32 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.014 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.0 m -115.06 112.99 23.46 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 176.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -146.06 136.08 23.59 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 3.4 tpm_? . . . . . 0 CA--C 1.546 0.826 0 CA-C-O 121.961 0.886 . . . . 0.0 109.839 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.852 0 CA-C-O 120.346 -0.141 . . . . 0.0 113.0 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 13.2 p -106.24 141.46 21.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.7 m -119.42 119.02 32.7 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.036 0.446 . . . . 0.0 110.675 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -120.19 120.0 34.88 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . 0.486 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.8 m -96.16 141.47 15.36 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.139 -179.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -139.71 135.83 33.57 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 71.67 26.26 3.13 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 122.791 1.281 . . . . 0.0 108.88 -176.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.61 36.95 93.77 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 114.133 -1.394 . . . . 0.0 113.64 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.5 p -152.41 145.81 15.42 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -107.27 103.13 12.42 Favored 'General case' 0 C--N 1.291 -1.971 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . 0.486 ' HA ' ' HA ' ' A' ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.2 t -92.64 110.49 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.731 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.999 -179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 2' ' ' VAL . 83.2 m -105.01 117.47 34.07 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 174.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -147.28 134.65 20.72 Favored 'General case' 0 N--CA 1.425 -1.681 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 . . . . . 0 CA--C 1.556 1.18 0 C-N-CA 123.939 0.896 . . . . 0.0 111.193 176.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.026 0 CA-C-O 119.889 -0.395 . . . . 0.0 113.851 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 17' ' ' ARG . 29.5 m -101.63 132.22 47.95 Favored 'Isoleucine or valine' 0 C--O 1.247 0.953 0 CA-C-N 118.127 0.963 . . . . 0.0 109.636 177.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.8 m -117.66 140.7 49.3 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.603 -176.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -121.87 109.9 15.21 Favored 'General case' 0 N--CA 1.425 -1.675 0 CA-C-N 115.057 -0.974 . . . . 0.0 108.62 173.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 p -123.62 130.52 74.03 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.208 0 CA-C-O 121.84 0.829 . . . . 0.0 111.307 -178.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . 0.41 ' HA ' ' O ' ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -126.7 122.52 35.13 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -177.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.503 ' HA ' ' NE ' ' A' ' 9' ' ' ARG . 2.2 tpm_? 61.95 31.78 18.0 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 122.316 1.055 . . . . 0.0 109.574 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.67 -16.99 52.46 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.548 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 7' ' ' ABA . 47.1 t -84.79 115.39 26.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 O-C-N 122.536 -0.39 . . . . 0.0 110.25 -176.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -106.68 124.99 50.42 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.908 -174.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 t -95.93 119.17 43.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.9 m -116.54 136.5 52.93 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-O 120.535 0.207 . . . . 0.0 110.729 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.424 ' O ' HG22 ' A' ' 2' ' ' VAL . 12.0 ptp180 -154.07 132.41 11.96 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 175.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 . . . . . 0 CA--C 1.549 0.921 0 C-N-CA 124.057 0.943 . . . . 0.0 109.856 179.759 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.678 0 CA-C-O 120.045 -0.308 . . . . 0.0 113.577 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.5 m -98.53 119.27 46.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 118.064 0.932 . . . . 0.0 113.031 -175.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 2.6 m -80.0 105.47 11.3 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.994 177.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -104.35 137.72 41.83 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.467 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -111.41 145.65 17.37 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.275 -175.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -126.23 132.81 51.65 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 59.63 29.72 19.29 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-O 122.229 1.014 . . . . 0.0 109.597 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.99 6.19 81.92 Favored Glycine 0 CA--C 1.521 0.433 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.66 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.8 t -108.22 119.76 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.072 0 C-N-CA 123.57 0.748 . . . . 0.0 109.389 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -124.61 134.24 53.0 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -173.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.525 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 27.3 m -123.79 134.34 66.73 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 CA-C-O 120.589 0.233 . . . . 0.0 111.621 -177.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.9 m -88.98 106.12 18.22 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-O 121.216 0.531 . . . . 0.0 109.961 176.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -117.33 124.82 49.89 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 177.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 . . . . . 0 CA--C 1.546 0.817 0 CA-C-O 122.618 1.199 . . . . 0.0 108.502 -175.623 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.759 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 52.2 t -98.91 113.9 35.09 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 70.8 m -98.77 106.98 19.31 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-O 121.584 0.707 . . . . 0.0 109.883 176.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 . . . . . 0 C--N 1.297 -1.711 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.117 179.425 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 . . . . . 0 N--CA 1.439 -0.983 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 52.48 69.06 0.73 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.356 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.47 -36.22 4.13 Favored Glycine 0 C--N 1.311 -0.812 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.146 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.5 t . . . . . 0 C--O 1.239 0.544 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.439 -0.996 0 CA-C-O 121.191 0.52 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 84.2 m -100.39 105.2 16.67 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 175.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -131.32 118.83 20.88 Favored 'General case' 0 N--CA 1.417 -2.116 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.976 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 . . . . . 0 C--N 1.31 -1.15 0 CA-C-N 114.493 -1.231 . . . . 0.0 110.21 176.489 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.4 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.2 t -96.45 115.76 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.688 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.5 m -101.58 125.53 48.24 Favored 'General case' 0 C--N 1.284 -2.254 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? . . . . . 0 C--N 1.294 -1.826 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.656 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 . . . . . 0 N--CA 1.442 -0.842 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 66.62 26.32 9.76 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-O 122.118 0.961 . . . . 0.0 109.831 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.26 2.43 90.37 Favored Glycine 0 N--CA 1.441 -1.014 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.086 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.9 t . . . . . 0 C--N 1.308 -1.218 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.679 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 49.0 t . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.1 m -105.71 110.54 22.88 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.26 0.552 . . . . 0.0 110.21 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -136.49 123.97 22.15 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 . . . . . 0 CA--C 1.547 0.858 0 CA-C-O 122.576 1.179 . . . . 0.0 109.723 176.94 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.528 0 CA-C-O 121.057 0.254 . . . . 0.0 112.59 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.0 t -106.45 107.97 24.01 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.4 m -94.29 107.73 19.66 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-O 121.32 0.581 . . . . 0.0 109.838 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.57 ' HA ' ' HE ' ' A' ' 4' ' ' ARG . 1.7 tpm_? . . . . . 0 C--N 1.297 -1.7 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.406 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? . . . . . 0 N--CA 1.442 -0.85 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 58.18 53.78 6.33 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.809 -175.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.19 -37.98 3.25 Favored Glycine 0 C--N 1.315 -0.607 0 CA-C-N 115.206 -0.907 . . . . 0.0 113.392 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.0 t . . . . . 0 C--N 1.317 -0.832 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -177.901 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.426 -1.668 0 CA-C-O 121.362 0.601 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 99.8 m -103.6 109.75 21.55 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -143.28 129.55 19.87 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.303 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 . . . . . 0 N--CA 1.476 0.836 0 C-N-CA 124.002 0.921 . . . . 0.0 110.694 176.9 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.707 0 CA-C-O 120.305 -0.164 . . . . 0.0 113.445 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 98.8 t -84.94 113.76 24.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 79.2 m -112.66 119.86 39.56 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.819 -176.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 . . . . . 0 C--N 1.315 -0.895 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 176.144 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 . . . . . 0 N--CA 1.436 -1.16 0 CA-C-O 121.381 0.61 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 53.94 66.02 1.35 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.086 1.355 . . . . 0.0 111.671 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.31 -26.23 18.52 Favored Glycine 0 C--N 1.311 -0.851 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.174 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.9 t . . . . . 0 C--N 1.309 -1.163 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.892 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 28.2 m . . . . . 0 N--CA 1.445 -0.698 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.6 m -118.28 139.67 50.98 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 120.826 0.345 . . . . 0.0 111.474 -176.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -138.86 109.58 6.66 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.302 175.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 . . . . . 0 CA--C 1.546 0.813 0 C-N-CA 124.584 1.154 . . . . 0.0 110.47 179.854 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.699 0 N-CA-C 113.732 0.253 . . . . 0.0 113.732 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.0 t -124.93 114.56 40.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 O-C-N 122.008 -0.701 . . . . 0.0 109.854 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 90.0 m -94.2 112.82 24.66 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.052 0.453 . . . . 0.0 110.404 176.062 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 . . . . . 0 C--N 1.309 -1.169 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.971 177.619 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 . . . . . 0 N--CA 1.439 -0.99 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 59.35 65.99 1.09 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.015 0.926 . . . . 0.0 110.969 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.45 -29.14 4.08 Favored Glycine 0 C--N 1.311 -0.861 0 CA-C-N 115.84 -0.618 . . . . 0.0 113.445 176.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.316 -0.861 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 -179.696 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 N--CA 1.433 -1.316 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 76.0 m -93.06 105.95 17.98 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 174.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -127.68 122.02 31.9 Favored 'General case' 0 N--CA 1.419 -1.99 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.133 -178.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.9 ttt180 . . . . . 0 C--O 1.245 0.863 0 C-N-CA 125.018 1.327 . . . . 0.0 111.755 175.138 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.855 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.4 t -96.29 108.43 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.208 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.7 m -94.39 110.42 22.19 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.388 0.613 . . . . 0.0 109.898 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 . . . . . 0 C--N 1.296 -1.726 0 CA-C-N 115.3 -0.863 . . . . 0.0 108.715 -179.83 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 . . . . . 0 N--CA 1.429 -1.525 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 44.42 75.11 0.11 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 126.228 1.811 . . . . 0.0 112.838 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.94 -37.85 3.29 Favored Glycine 0 N--CA 1.436 -1.326 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.272 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.1 t . . . . . 0 C--N 1.312 -1.027 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.584 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.1 t . . . . . 0 N--CA 1.44 -0.969 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.2 m -105.23 106.28 16.7 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -132.19 127.38 35.72 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 . . . . . 0 CA--C 1.546 0.826 0 CA-C-O 122.431 1.11 . . . . 0.0 110.221 178.246 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.104 0 N-CA-C 112.584 -0.207 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 45.6 t -87.9 111.59 22.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 74.8 m -93.87 108.14 19.96 Favored 'General case' 0 C--N 1.282 -2.356 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.844 -175.16 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 . . . . . 0 N--CA 1.436 -1.166 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.453 -179.786 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 . . . . . 0 CA--C 1.497 -1.063 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? 60.86 25.73 15.64 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 122.169 0.985 . . . . 0.0 110.643 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.48 29.86 65.32 Favored Glycine 0 N--CA 1.441 -1.029 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.975 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 C--O 1.252 1.218 0 CA-C-O 121.259 0.552 . . . . 0.0 110.37 176.093 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 64.4 t . . . . . 0 N--CA 1.441 -0.876 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 62.1 m -95.17 117.72 30.72 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-O 121.536 0.684 . . . . 0.0 111.241 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -115.47 108.11 16.05 Favored 'General case' 0 N--CA 1.428 -1.556 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 . . . . . 0 CA--C 1.554 1.117 0 C-N-CA 124.604 1.162 . . . . 0.0 110.946 -179.708 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.154 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.7 t -95.3 108.08 20.44 Favored 'Isoleucine or valine' 0 C--O 1.25 1.115 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 97.1 m -91.62 112.65 24.66 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.409 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 . . . . . 0 N--CA 1.424 -1.749 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.305 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.672 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 1.9 tpm_? . . . . . 0 N--CA 1.418 -2.053 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 55.92 71.64 0.54 Allowed 'General case' 0 C--O 1.248 0.981 0 C-N-CA 125.546 1.538 . . . . 0.0 111.386 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.84 -41.47 2.21 Favored Glycine 0 C--N 1.305 -1.164 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.776 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.3 t . . . . . 0 C--N 1.307 -1.267 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.916 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.433 -1.297 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.6 m -111.38 121.4 45.13 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -138.55 133.93 33.21 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? . . . . . 0 N--CA 1.483 1.22 0 C-N-CA 124.079 0.951 . . . . 0.0 110.537 -179.473 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.235 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.9 t -103.48 122.18 55.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 82.0 m -92.89 104.59 16.82 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.835 0.826 . . . . 0.0 110.056 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 . . . . . 0 N--CA 1.429 -1.502 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.771 -175.168 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 . . . . . 0 N--CA 1.445 -0.709 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 57.31 57.14 4.63 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.959 0.904 . . . . 0.0 110.715 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.44 -33.78 4.79 Favored Glycine 0 C--N 1.309 -0.948 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.591 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.4 t . . . . . 0 C--N 1.32 -0.686 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.178 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.439 -0.976 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 57.8 m -104.17 110.35 22.52 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 121.127 0.489 . . . . 0.0 110.603 -178.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -129.43 134.52 47.88 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.4 tpp180 . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 122.179 0.99 . . . . 0.0 109.893 -178.068 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.978 0 N-CA-C 114.42 0.528 . . . . 0.0 114.42 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 8.0 p -107.09 128.35 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 117.812 0.806 . . . . 0.0 110.203 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 99.0 m -110.1 115.15 29.24 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.418 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 . . . . . 0 C--N 1.297 -1.7 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.59 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 . . . . . 0 N--CA 1.44 -0.932 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 62.06 34.86 16.24 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 122.52 1.153 . . . . 0.0 109.36 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.03 -14.7 58.24 Favored Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 114.859 -1.064 . . . . 0.0 112.478 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.0 t . . . . . 0 C--N 1.311 -1.105 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -178.942 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 65.5 t . . . . . 0 N--CA 1.44 -0.968 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 2' ' ' VAL . 90.4 m -112.3 106.9 15.56 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.8 ptt85 -144.99 139.05 27.23 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 . . . . . 0 CA--C 1.553 1.073 0 CA-C-O 122.184 0.992 . . . . 0.0 110.443 -179.4 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.666 0 CA-C-O 119.83 -0.428 . . . . 0.0 113.614 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.8 p -101.19 132.03 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.801 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 77.9 m -110.51 139.51 45.68 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.688 -177.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 . . . . . 0 C--N 1.303 -1.414 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.481 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 . . . . . 0 N--CA 1.436 -1.168 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 57.63 54.26 6.53 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 124.153 0.981 . . . . 0.0 110.021 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.78 -24.04 22.82 Favored Glycine 0 C--N 1.313 -0.706 0 CA-C-N 115.51 -0.768 . . . . 0.0 113.092 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 70.4 t . . . . . 0 C--N 1.314 -0.965 0 CA-C-O 120.892 0.377 . . . . 0.0 110.339 -178.648 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 17.8 m . . . . . 0 N--CA 1.432 -1.366 0 CA-C-O 121.036 0.446 . . . . 0.0 110.784 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.5 m -109.79 115.43 29.83 Favored 'General case' 0 C--N 1.287 -2.144 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -132.61 121.23 22.88 Favored 'General case' 0 N--CA 1.424 -1.73 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -176.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.505 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 2.0 tpm_? . . . . . 0 CA--C 1.555 1.137 0 CA-C-O 122.664 1.221 . . . . 0.0 111.549 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.314 0 N-CA-C 113.595 0.198 . . . . 0.0 113.595 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 p -138.72 135.49 43.28 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 CA-C-N 117.434 0.617 . . . . 0.0 111.345 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 81.1 m -91.74 105.32 17.63 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 121.759 0.79 . . . . 0.0 109.13 176.694 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 . . . . . 0 C--N 1.306 -1.325 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.532 -175.172 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 . . . . . 0 N--CA 1.432 -1.338 0 CA-C-O 121.313 0.578 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 56.63 59.21 3.68 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.418 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.13 -34.62 5.25 Favored Glycine 0 C--N 1.305 -1.187 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.143 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.319 -0.743 0 C-N-CA 122.556 0.342 . . . . 0.0 110.505 -179.118 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.445 -0.693 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 63.3 m -98.06 104.37 16.4 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.136 0.493 . . . . 0.0 109.878 179.023 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -133.22 139.37 46.94 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.267 -177.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 . . . . . 0 CA--C 1.549 0.922 0 CA-C-O 121.655 0.741 . . . . 0.0 112.877 170.101 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.606 0 CA-C-O 119.807 -0.441 . . . . 0.0 113.314 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.1 m -116.28 145.46 22.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 117.864 0.832 . . . . 0.0 112.321 -176.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.434 ' O ' ' HD2' ' A' ' 4' ' ' ARG . 69.4 m -104.78 132.44 51.02 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.511 178.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.434 ' HD2' ' O ' ' A' ' 3' ' ' CYS . 15.8 mmm180 . . . . . 0 C--N 1.319 -0.718 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 . . . . . 0 N--CA 1.423 -1.816 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 62.4 30.76 17.39 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 124.238 1.015 . . . . 0.0 110.734 175.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.87 -4.34 78.5 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.533 -0.842 . . . . 0.0 113.633 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.443 -0.798 0 CA-C-N 117.436 0.618 . . . . 0.0 110.55 178.737 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.428 -1.542 0 CA-C-O 121.252 0.549 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 84.5 m -106.65 117.5 34.2 Favored 'General case' 0 C--N 1.281 -2.385 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -150.97 143.78 24.5 Favored 'General case' 0 N--CA 1.432 -1.332 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 . . . . . 0 CA--C 1.547 0.857 0 CA-C-O 122.01 0.91 . . . . 0.0 109.744 176.692 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.6 t -101.93 111.57 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.9 m -101.83 130.98 48.41 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 . . . . . 0 C--N 1.306 -1.291 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 176.51 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 . . . . . 0 N--CA 1.434 -1.229 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 66.02 27.47 10.66 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 122.726 1.25 . . . . 0.0 110.249 -178.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.22 -3.95 86.45 Favored Glycine 0 N--CA 1.442 -0.902 0 CA-C-N 115.079 -0.964 . . . . 0.0 113.796 175.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 m . . . . . 0 C--N 1.304 -1.411 0 CA-C-N 117.495 0.648 . . . . 0.0 110.526 -179.46 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.9 t . . . . . 0 N--CA 1.445 -0.684 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.1 m -110.82 118.73 36.91 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -147.4 134.3 20.2 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 . . . . . 0 CA--C 1.551 1.001 0 CA-C-O 122.361 1.076 . . . . 0.0 110.183 -178.724 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.644 0 N-CA-C 111.818 -0.513 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.7 t -95.44 123.6 47.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 87.5 m -113.87 123.95 51.02 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.331 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--N 1.305 -1.333 0 CA-C-O 121.19 0.519 . . . . 0.0 109.985 -178.96 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 . . . . . 0 N--CA 1.431 -1.413 0 CA-C-O 121.561 0.696 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 58.99 65.32 1.23 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.086 -1.415 . . . . 0.0 110.857 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.21 -28.42 5.66 Favored Glycine 0 C--N 1.309 -0.953 0 CA-C-N 115.15 -0.932 . . . . 0.0 113.25 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.316 -0.864 0 O-C-N 122.537 -0.39 . . . . 0.0 110.244 -178.365 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 32.2 m . . . . . 0 N--CA 1.445 -0.701 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.5 m -133.7 133.97 42.49 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 123.067 0.229 . . . . 0.0 110.645 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -159.91 137.66 9.9 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 174.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 122.166 0.984 . . . . 0.0 109.883 179.233 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.31 0 N-CA-C 111.823 -0.511 . . . . 0.0 111.823 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 p -116.26 140.85 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 68.3 m -105.72 132.91 51.27 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.134 0.492 . . . . 0.0 111.135 -178.156 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 . . . . . 0 C--N 1.305 -1.349 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 177.807 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 . . . . . 0 N--CA 1.438 -1.026 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 53.96 71.78 0.49 Allowed 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 114.294 -1.321 . . . . 0.0 111.038 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.45 -36.91 3.6 Favored Glycine 0 C--N 1.309 -0.958 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.743 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.3 t . . . . . 0 C--N 1.317 -0.81 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -179.386 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.441 -0.892 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.3 m -105.51 120.51 41.81 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 121.272 0.558 . . . . 0.0 110.402 -179.408 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -142.26 136.85 30.21 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 . . . . . 0 N--CA 1.483 1.202 0 C-N-CA 123.924 0.89 . . . . 0.0 110.587 178.534 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.649 0 N-CA-C 112.904 -0.078 . . . . 0.0 112.904 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.2 p -98.66 124.59 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.208 0 C-N-CA 119.681 -0.808 . . . . 0.0 112.079 -175.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 72.5 m -98.27 122.76 41.84 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 176.248 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? . . . . . 0 C--N 1.298 -1.634 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.562 -177.943 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 . . . . . 0 N--CA 1.441 -0.905 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 61.94 30.32 18.05 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.432 1.093 . . . . 0.0 110.271 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.09 22.21 78.9 Favored Glycine 0 CA--C 1.524 0.621 0 CA-C-N 115.549 -0.751 . . . . 0.0 113.4 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.4 p . . . . . 0 C--N 1.31 -1.135 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 177.536 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 31.6 m . . . . . 0 N--CA 1.432 -1.331 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.0 m -115.06 112.99 23.46 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 176.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -146.06 136.08 23.59 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.45 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 3.4 tpm_? . . . . . 0 CA--C 1.546 0.826 0 CA-C-O 121.961 0.886 . . . . 0.0 109.839 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.852 0 CA-C-O 120.346 -0.141 . . . . 0.0 113.0 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 13.2 p -106.24 141.46 21.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.7 m -119.42 119.02 32.7 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.036 0.446 . . . . 0.0 110.675 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 . . . . . 0 C--N 1.298 -1.649 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.422 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 . . . . . 0 N--CA 1.438 -1.047 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 71.67 26.26 3.13 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 122.791 1.281 . . . . 0.0 108.88 -176.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.61 36.95 93.77 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 114.133 -1.394 . . . . 0.0 113.64 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.305 -1.337 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.926 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 0 N--CA 1.424 -1.731 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 2' ' ' VAL . 83.2 m -105.01 117.47 34.07 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 174.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -147.28 134.65 20.72 Favored 'General case' 0 N--CA 1.425 -1.681 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 . . . . . 0 CA--C 1.556 1.18 0 C-N-CA 123.939 0.896 . . . . 0.0 111.193 176.968 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.026 0 CA-C-O 119.889 -0.395 . . . . 0.0 113.851 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 17' ' ' ARG . 29.5 m -101.63 132.22 47.95 Favored 'Isoleucine or valine' 0 C--O 1.247 0.953 0 CA-C-N 118.127 0.963 . . . . 0.0 109.636 177.21 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.8 m -117.66 140.7 49.3 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.603 -176.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 . . . . . 0 N--CA 1.425 -1.675 0 CA-C-N 115.057 -0.974 . . . . 0.0 108.62 173.815 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 . . . . . 0 N--CA 1.431 -1.398 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.556 ' HA ' ' NE ' ' A' ' 9' ' ' ARG . 2.2 tpm_? 61.95 31.78 18.0 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 122.316 1.055 . . . . 0.0 109.574 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.67 -16.99 52.46 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.548 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.304 -1.398 0 O-C-N 122.536 -0.39 . . . . 0.0 110.25 -176.124 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 t . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.9 m -116.54 136.5 52.93 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-O 120.535 0.207 . . . . 0.0 110.729 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.433 ' O ' HG22 ' A' ' 2' ' ' VAL . 12.0 ptp180 -154.07 132.41 11.96 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 175.304 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 . . . . . 0 CA--C 1.549 0.921 0 C-N-CA 124.057 0.943 . . . . 0.0 109.856 179.759 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.678 0 CA-C-O 120.045 -0.308 . . . . 0.0 113.577 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.5 m -98.53 119.27 46.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 118.064 0.932 . . . . 0.0 113.031 -175.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.518 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 2.6 m -80.0 105.47 11.3 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.994 177.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 . . . . . 0 N--CA 1.427 -1.602 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.467 178.662 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 . . . . . 0 N--CA 1.429 -1.493 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 59.63 29.72 19.29 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-O 122.229 1.014 . . . . 0.0 109.597 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.99 6.19 81.92 Favored Glycine 0 CA--C 1.521 0.433 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.66 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.8 t . . . . . 0 N--CA 1.438 -1.072 0 C-N-CA 123.57 0.748 . . . . 0.0 109.389 -178.597 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 27.3 m . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.589 0.233 . . . . 0.0 111.621 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 10.9 m -88.98 106.12 18.22 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-O 121.216 0.531 . . . . 0.0 109.961 176.511 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -117.33 124.82 49.89 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 177.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 . . . . . 0 CA--C 1.546 0.817 0 CA-C-O 122.618 1.199 . . . . 0.0 108.502 -175.623 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.759 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 52.2 t -98.91 113.9 35.09 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 70.8 m -98.77 106.98 19.31 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-O 121.584 0.707 . . . . 0.0 109.883 176.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -104.9 109.97 22.16 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.117 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ABA . . . . . 0.423 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.4 t -93.72 142.65 13.0 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -113.35 74.81 0.88 Allowed 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 52.48 69.06 0.73 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.356 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.47 -36.22 4.13 Favored Glycine 0 C--N 1.311 -0.812 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.146 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.5 t -75.49 91.03 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.544 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -132.85 96.12 3.72 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ABA . . . . . 0.423 ' HA ' ' HA ' ' A' ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.2 m -102.76 118.22 49.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-O 121.191 0.52 . . . . 0.0 111.433 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 84.2 m -100.39 105.2 16.67 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 175.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -131.32 118.83 20.88 Favored 'General case' 0 N--CA 1.417 -2.116 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.976 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 . . . . . 0 C--N 1.31 -1.15 0 CA-C-N 114.493 -1.231 . . . . 0.0 110.21 176.489 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.4 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.2 t -96.45 115.76 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.688 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.5 m -101.58 125.53 48.24 Favored 'General case' 0 C--N 1.284 -2.254 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -113.5 109.37 18.54 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.1 t -110.45 153.71 12.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -126.85 116.62 21.13 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 66.62 26.32 9.76 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-O 122.118 0.961 . . . . 0.0 109.831 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.26 2.43 90.37 Favored Glycine 0 N--CA 1.441 -1.014 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.086 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.9 t -98.05 122.74 50.01 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.218 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -113.98 102.61 10.35 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 49.0 t -96.8 116.14 38.17 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.326 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.486 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.1 m -105.71 110.54 22.88 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.26 0.552 . . . . 0.0 110.21 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -136.49 123.97 22.15 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 . . . . . 0 CA--C 1.547 0.858 0 CA-C-O 122.576 1.179 . . . . 0.0 109.723 176.94 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.528 0 CA-C-O 121.057 0.254 . . . . 0.0 112.59 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.0 t -106.45 107.97 24.01 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.4 m -94.29 107.73 19.66 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-O 121.32 0.581 . . . . 0.0 109.838 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.57 ' HA ' ' HE ' ' A' ' 4' ' ' ARG . 1.7 tpm_? -104.91 110.06 22.28 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.406 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ABA . . . . . 0.474 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.7 t -92.88 143.41 11.48 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -92.85 75.33 4.87 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 58.18 53.78 6.33 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.809 -175.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.19 -37.98 3.25 Favored Glycine 0 C--N 1.315 -0.607 0 CA-C-N 115.206 -0.907 . . . . 0.0 113.392 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.0 t -75.42 132.83 32.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -119.25 87.51 2.75 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 176.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ABA . . . . . 0.474 ' HA ' ' HA ' ' A' ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.8 m -94.89 115.07 32.81 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.87 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.916 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 99.8 m -103.6 109.75 21.55 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -143.28 129.55 19.87 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.303 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 . . . . . 0 N--CA 1.476 0.836 0 C-N-CA 124.002 0.921 . . . . 0.0 110.694 176.9 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.707 0 CA-C-O 120.305 -0.164 . . . . 0.0 113.445 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 98.8 t -84.94 113.76 24.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 79.2 m -112.66 119.86 39.56 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.819 -176.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -107.38 133.59 51.68 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 176.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 31.3 m -102.01 131.71 49.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 CA-C-O 121.127 0.489 . . . . 0.0 110.483 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -98.22 71.66 2.1 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.381 0.61 . . . . 0.0 110.246 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 53.94 66.02 1.35 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.086 1.355 . . . . 0.0 111.671 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.31 -26.23 18.52 Favored Glycine 0 C--N 1.311 -0.851 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.174 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.9 t -89.27 98.49 8.12 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 tpp85 -133.36 130.49 38.88 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.598 -176.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 28.2 m -98.72 131.03 46.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.6 m -118.28 139.67 50.98 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 120.826 0.345 . . . . 0.0 111.474 -176.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -138.86 109.58 6.66 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.302 175.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 . . . . . 0 CA--C 1.546 0.813 0 C-N-CA 124.584 1.154 . . . . 0.0 110.47 179.854 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.699 0 N-CA-C 113.732 0.253 . . . . 0.0 113.732 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.0 t -124.93 114.56 40.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 O-C-N 122.008 -0.701 . . . . 0.0 109.854 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 90.0 m -94.2 112.82 24.66 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.052 0.453 . . . . 0.0 110.404 176.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -107.45 109.72 21.49 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.971 177.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ABA . . . . . 0.482 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.4 t -104.89 130.04 56.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ABA . . . . . 0.433 ' HA ' ' O ' ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -121.16 95.01 4.52 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 59.35 65.99 1.09 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.015 0.926 . . . . 0.0 110.969 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.45 -29.14 4.08 Favored Glycine 0 C--N 1.311 -0.861 0 CA-C-N 115.84 -0.618 . . . . 0.0 113.445 176.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 7' ' ' ABA . 46.7 t -78.5 105.36 7.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -117.48 86.61 2.55 Favored 'General case' 0 C--N 1.28 -2.451 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ABA . . . . . 0.482 ' HA ' ' HA ' ' A' ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.8 t -102.46 112.09 34.55 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.713 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 76.0 m -93.06 105.95 17.98 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 174.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -127.68 122.02 31.9 Favored 'General case' 0 N--CA 1.419 -1.99 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.133 -178.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.9 ttt180 . . . . . 0 C--O 1.245 0.863 0 C-N-CA 125.018 1.327 . . . . 0.0 111.755 175.138 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.855 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.4 t -96.29 108.43 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.208 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.7 m -94.39 110.42 22.19 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.388 0.613 . . . . 0.0 109.898 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -106.9 109.67 21.63 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 115.3 -0.863 . . . . 0.0 108.715 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 m -82.84 103.48 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 CA-C-O 122.017 0.913 . . . . 0.0 108.986 176.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -119.59 84.02 2.14 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 115.138 -0.937 . . . . 0.0 108.739 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 44.42 75.11 0.11 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 126.228 1.811 . . . . 0.0 112.838 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.94 -37.85 3.29 Favored Glycine 0 N--CA 1.436 -1.326 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.272 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.1 t -83.89 99.2 6.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -135.5 120.73 18.97 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 176.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.1 t -90.18 110.27 21.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.481 -176.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.2 m -105.23 106.28 16.7 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -132.19 127.38 35.72 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 . . . . . 0 CA--C 1.546 0.826 0 CA-C-O 122.431 1.11 . . . . 0.0 110.221 178.246 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.104 0 N-CA-C 112.584 -0.207 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 45.6 t -87.9 111.59 22.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.483 ' HB3' ' CG ' ' A' ' 14' ' ' ABA . 74.8 m -93.87 108.14 19.96 Favored 'General case' 0 C--N 1.282 -2.356 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.844 -175.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -106.15 124.49 49.66 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.453 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ABA . . . . . 0.454 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -120.7 142.24 37.54 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-O 121.64 0.733 . . . . 0.0 110.604 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -134.04 141.11 47.08 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? 60.86 25.73 15.64 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 122.169 0.985 . . . . 0.0 110.643 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.48 29.86 65.32 Favored Glycine 0 N--CA 1.441 -1.029 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.975 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.5 p -144.62 133.33 18.08 Favored 'Isoleucine or valine' 0 C--O 1.252 1.218 0 CA-C-O 121.259 0.552 . . . . 0.0 110.37 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -113.19 131.42 55.88 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 -176.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ABA . . . . . 0.483 ' CG ' ' HB3' ' A' ' 3' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 64.4 t -107.7 120.0 58.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 62.1 m -95.17 117.72 30.72 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-O 121.536 0.684 . . . . 0.0 111.241 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -115.47 108.11 16.05 Favored 'General case' 0 N--CA 1.428 -1.556 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 . . . . . 0 CA--C 1.554 1.117 0 C-N-CA 124.604 1.162 . . . . 0.0 110.946 -179.708 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.154 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.7 t -95.3 108.08 20.44 Favored 'Isoleucine or valine' 0 C--O 1.25 1.115 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 97.1 m -91.62 112.65 24.66 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.409 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -111.05 123.18 49.68 Favored 'General case' 0 N--CA 1.424 -1.749 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.404 HG23 ' HB3' ' A' ' 13' ' ' ARG . 15.4 m -93.5 108.86 21.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 CA-C-O 122.062 0.934 . . . . 0.0 109.472 178.392 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ABA . . . . . 0.401 ' HG2' ' HG2' ' A' ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.672 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 1.9 tpm_? -122.21 68.72 0.94 Allowed 'General case' 0 N--CA 1.418 -2.053 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 174.076 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 55.92 71.64 0.54 Allowed 'General case' 0 C--O 1.248 0.981 0 C-N-CA 125.546 1.538 . . . . 0.0 111.386 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.84 -41.47 2.21 Favored Glycine 0 C--N 1.305 -1.164 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.776 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.3 t -79.38 104.3 7.29 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ABA . . . . . 0.401 ' HG2' ' HG2' ' A' ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.404 ' HB3' HG23 ' A' ' 6' ' ' VAL . 54.5 ttt180 -105.56 96.23 6.36 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 174.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -118.76 124.51 73.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.6 m -111.38 121.4 45.13 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -138.55 133.93 33.21 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? . . . . . 0 N--CA 1.483 1.22 0 C-N-CA 124.079 0.951 . . . . 0.0 110.537 -179.473 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.235 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.9 t -103.48 122.18 55.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 82.0 m -92.89 104.59 16.82 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.835 0.826 . . . . 0.0 110.056 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -95.74 125.19 40.15 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.771 -175.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.7 m -86.89 110.74 20.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 CA-C-O 121.893 0.854 . . . . 0.0 111.218 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -117.22 89.83 3.2 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 57.31 57.14 4.63 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.959 0.904 . . . . 0.0 110.715 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.44 -33.78 4.79 Favored Glycine 0 C--N 1.309 -0.948 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.591 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.4 t -75.68 107.24 6.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -92.46 116.4 28.95 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.866 -176.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 p -136.26 132.65 49.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.274 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 57.8 m -104.17 110.35 22.52 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 121.127 0.489 . . . . 0.0 110.603 -178.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -129.43 134.52 47.88 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.4 tpp180 . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 122.179 0.99 . . . . 0.0 109.893 -178.068 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.978 0 N-CA-C 114.42 0.528 . . . . 0.0 114.42 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 8.0 p -107.09 128.35 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 117.812 0.806 . . . . 0.0 110.203 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 99.0 m -110.1 115.15 29.24 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.418 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -118.03 110.25 17.44 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ABA . . . . . 0.444 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.3 p -121.09 136.48 57.9 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 CA-C-O 121.562 0.696 . . . . 0.0 110.546 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ABA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -117.42 111.89 19.92 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.204 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 62.06 34.86 16.24 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 122.52 1.153 . . . . 0.0 109.36 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.03 -14.7 58.24 Favored Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 114.859 -1.064 . . . . 0.0 112.478 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.0 t -86.3 98.12 6.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -178.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ABA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -92.69 122.3 34.97 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 -176.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ABA . . . . . 0.444 ' HA ' ' HA ' ' A' ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 65.5 t -94.62 110.01 23.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 2' ' ' VAL . 90.4 m -112.3 106.9 15.56 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.8 ptt85 -144.99 139.05 27.23 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 . . . . . 0 CA--C 1.553 1.073 0 CA-C-O 122.184 0.992 . . . . 0.0 110.443 -179.4 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.666 0 CA-C-O 119.83 -0.428 . . . . 0.0 113.614 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.8 p -101.19 132.03 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.801 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 77.9 m -110.51 139.51 45.68 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.688 -177.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -134.34 120.16 19.55 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ABA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.6 m -102.43 154.21 5.25 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.84 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ABA . . . . . 0.413 ' HA ' ' O ' ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -96.15 92.92 6.64 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.064 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 57.63 54.26 6.53 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 124.153 0.981 . . . . 0.0 110.021 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.78 -24.04 22.82 Favored Glycine 0 C--N 1.313 -0.706 0 CA-C-N 115.51 -0.768 . . . . 0.0 113.092 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 7' ' ' ABA . 70.4 t -80.04 103.31 6.86 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-O 120.892 0.377 . . . . 0.0 110.339 -178.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -116.9 109.9 17.64 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.665 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ABA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 17.8 m -102.11 118.04 48.35 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.784 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.5 m -109.79 115.43 29.83 Favored 'General case' 0 C--N 1.287 -2.144 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -132.61 121.23 22.88 Favored 'General case' 0 N--CA 1.424 -1.73 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -176.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.505 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 2.0 tpm_? . . . . . 0 CA--C 1.555 1.137 0 CA-C-O 122.664 1.221 . . . . 0.0 111.549 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.314 0 N-CA-C 113.595 0.198 . . . . 0.0 113.595 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 p -138.72 135.49 43.28 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 CA-C-N 117.434 0.617 . . . . 0.0 111.345 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 81.1 m -91.74 105.32 17.63 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 121.759 0.79 . . . . 0.0 109.13 176.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.437 ' O ' ' HA ' ' A' ' 14' ' ' ABA . 30.3 mmm180 -95.08 114.38 26.18 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.532 -175.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ABA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.4 t -94.51 136.14 26.68 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -99.07 83.04 2.82 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.313 0.578 . . . . 0.0 110.294 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 56.63 59.21 3.68 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.418 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.13 -34.62 5.25 Favored Glycine 0 C--N 1.305 -1.187 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.143 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t -73.26 98.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 122.556 0.342 . . . . 0.0 110.505 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -94.62 100.36 12.32 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.669 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ABA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.2 t -110.73 133.91 54.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 63.3 m -98.06 104.37 16.4 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.136 0.493 . . . . 0.0 109.878 179.023 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -133.22 139.37 46.94 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.267 -177.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 . . . . . 0 CA--C 1.549 0.922 0 CA-C-O 121.655 0.741 . . . . 0.0 112.877 170.101 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.606 0 CA-C-O 119.807 -0.441 . . . . 0.0 113.314 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.1 m -116.28 145.46 22.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 117.864 0.832 . . . . 0.0 112.321 -176.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.434 ' O ' ' HD2' ' A' ' 4' ' ' ARG . 69.4 m -104.78 132.44 51.02 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.511 178.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.434 ' HD2' ' O ' ' A' ' 3' ' ' CYS . 15.8 mmm180 -128.19 123.86 35.34 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ABA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.0 m -96.08 133.36 37.59 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.022 -176.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -114.1 117.56 31.6 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.02 -176.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 62.4 30.76 17.39 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 124.238 1.015 . . . . 0.0 110.734 175.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.87 -4.34 78.5 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.533 -0.842 . . . . 0.0 113.633 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.9 p -117.33 126.92 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 CA-C-N 117.436 0.618 . . . . 0.0 110.55 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -125.18 126.48 45.3 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.036 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ABA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.7 m -91.12 126.57 43.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.398 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 84.5 m -106.65 117.5 34.2 Favored 'General case' 0 C--N 1.281 -2.385 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -150.97 143.78 24.5 Favored 'General case' 0 N--CA 1.432 -1.332 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 . . . . . 0 CA--C 1.547 0.857 0 CA-C-O 122.01 0.91 . . . . 0.0 109.744 176.692 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.6 t -101.93 111.57 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.9 m -101.83 130.98 48.41 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -128.55 115.03 17.49 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ABA . . . . . 0.448 ' HA ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.6 m -130.53 144.71 37.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ABA . . . . . 0.48 ' HA ' ' O ' ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 -141.67 127.57 19.38 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 66.02 27.47 10.66 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 122.726 1.25 . . . . 0.0 110.249 -178.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.22 -3.95 86.45 Favored Glycine 0 N--CA 1.442 -0.902 0 CA-C-N 115.079 -0.964 . . . . 0.0 113.796 175.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' A' ' 7' ' ' ABA . 21.3 m -113.0 136.89 47.86 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-N 117.495 0.648 . . . . 0.0 110.526 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' O ' ' HA ' ' A' ' 5' ' ' ABA . 25.7 tpt180 -101.2 113.81 27.2 Favored 'General case' 0 C--N 1.286 -2.169 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.468 -175.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.9 t -91.38 112.35 25.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.076 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.1 m -110.82 118.73 36.91 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -147.4 134.3 20.2 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 . . . . . 0 CA--C 1.551 1.001 0 CA-C-O 122.361 1.076 . . . . 0.0 110.183 -178.724 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.644 0 N-CA-C 111.818 -0.513 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.7 t -95.44 123.6 47.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 87.5 m -113.87 123.95 51.02 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.331 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -122.79 123.64 41.5 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-O 121.19 0.519 . . . . 0.0 109.985 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ABA . . . . . 0.463 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.7 m -103.78 113.99 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.784 0 CA-C-O 121.302 0.572 . . . . 0.0 109.691 177.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -108.64 89.25 2.94 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.561 0.696 . . . . 0.0 110.799 -177.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 58.99 65.32 1.23 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.086 -1.415 . . . . 0.0 110.857 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.21 -28.42 5.66 Favored Glycine 0 C--N 1.309 -0.953 0 CA-C-N 115.15 -0.932 . . . . 0.0 113.25 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t -84.02 104.78 12.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 O-C-N 122.537 -0.39 . . . . 0.0 110.244 -178.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -107.62 110.45 22.34 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.171 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ABA . . . . . 0.463 ' HA ' ' HA ' ' A' ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 32.2 m -100.96 146.44 9.47 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.474 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.5 m -133.7 133.97 42.49 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 123.067 0.229 . . . . 0.0 110.645 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -159.91 137.66 9.9 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 174.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 122.166 0.984 . . . . 0.0 109.883 179.233 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.31 0 N-CA-C 111.823 -0.511 . . . . 0.0 111.823 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 p -116.26 140.85 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 68.3 m -105.72 132.91 51.27 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.134 0.492 . . . . 0.0 111.135 -178.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -116.35 116.49 27.82 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 12' ' ' ABA . 3.9 p -78.68 128.59 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.792 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.473 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -89.95 68.17 7.26 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 53.96 71.78 0.49 Allowed 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 114.294 -1.321 . . . . 0.0 111.038 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.45 -36.91 3.6 Favored Glycine 0 C--N 1.309 -0.958 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.743 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.3 t -81.21 98.11 3.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ABA . . . . . 0.429 ' HA ' ' O ' ' A' ' 6' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -140.57 124.14 17.01 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -102.25 124.32 56.09 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.647 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.3 m -105.51 120.51 41.81 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 121.272 0.558 . . . . 0.0 110.402 -179.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -142.26 136.85 30.21 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 . . . . . 0 N--CA 1.483 1.202 0 C-N-CA 123.924 0.89 . . . . 0.0 110.587 178.534 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.649 0 N-CA-C 112.904 -0.078 . . . . 0.0 112.904 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.2 p -98.66 124.59 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.208 0 C-N-CA 119.681 -0.808 . . . . 0.0 112.079 -175.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 72.5 m -98.27 122.76 41.84 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 176.248 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -127.4 111.99 14.49 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.562 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ABA . . . . . 0.527 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -97.46 143.38 12.72 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -115.72 124.38 50.69 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -176.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 61.94 30.32 18.05 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.432 1.093 . . . . 0.0 110.271 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.09 22.21 78.9 Favored Glycine 0 CA--C 1.524 0.621 0 CA-C-N 115.549 -0.751 . . . . 0.0 113.4 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.4 p -136.66 143.24 35.86 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 177.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -117.68 89.66 3.17 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ABA . . . . . 0.527 ' HA ' ' HA ' ' A' ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 31.6 m -108.84 138.76 34.32 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.014 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.0 m -115.06 112.99 23.46 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 176.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -146.06 136.08 23.59 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.45 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 3.4 tpm_? . . . . . 0 CA--C 1.546 0.826 0 CA-C-O 121.961 0.886 . . . . 0.0 109.839 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.852 0 CA-C-O 120.346 -0.141 . . . . 0.0 113.0 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 13.2 p -106.24 141.46 21.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.7 m -119.42 119.02 32.7 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.036 0.446 . . . . 0.0 110.675 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -120.19 120.0 34.88 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ABA . . . . . 0.516 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.8 m -96.16 141.47 15.36 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.139 -179.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -139.71 135.83 33.57 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 71.67 26.26 3.13 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 122.791 1.281 . . . . 0.0 108.88 -176.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.61 36.95 93.77 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 114.133 -1.394 . . . . 0.0 113.64 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.5 p -152.41 145.81 15.42 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -107.27 103.13 12.42 Favored 'General case' 0 C--N 1.291 -1.971 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ABA . . . . . 0.516 ' HA ' ' HA ' ' A' ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.2 t -92.64 110.49 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.731 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.999 -179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 2' ' ' VAL . 83.2 m -105.01 117.47 34.07 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 174.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -147.28 134.65 20.72 Favored 'General case' 0 N--CA 1.425 -1.681 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 . . . . . 0 CA--C 1.556 1.18 0 C-N-CA 123.939 0.896 . . . . 0.0 111.193 176.968 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.026 0 CA-C-O 119.889 -0.395 . . . . 0.0 113.851 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 17' ' ' ARG . 29.5 m -101.63 132.22 47.95 Favored 'Isoleucine or valine' 0 C--O 1.247 0.953 0 CA-C-N 118.127 0.963 . . . . 0.0 109.636 177.21 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.8 m -117.66 140.7 49.3 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.603 -176.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -121.87 109.9 15.21 Favored 'General case' 0 N--CA 1.425 -1.675 0 CA-C-N 115.057 -0.974 . . . . 0.0 108.62 173.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 p -123.62 130.52 74.03 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.208 0 CA-C-O 121.84 0.829 . . . . 0.0 111.307 -178.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ABA . . . . . 0.4 ' HA ' ' O ' ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -126.7 122.52 35.13 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -177.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.556 ' HA ' ' NE ' ' A' ' 9' ' ' ARG . 2.2 tpm_? 61.95 31.78 18.0 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 122.316 1.055 . . . . 0.0 109.574 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.67 -16.99 52.46 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.548 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 7' ' ' ABA . 47.1 t -84.79 115.39 26.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 O-C-N 122.536 -0.39 . . . . 0.0 110.25 -176.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -106.68 124.99 50.42 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.908 -174.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 t -95.93 119.17 43.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.9 m -116.54 136.5 52.93 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-O 120.535 0.207 . . . . 0.0 110.729 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.433 ' O ' HG22 ' A' ' 2' ' ' VAL . 12.0 ptp180 -154.07 132.41 11.96 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 175.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 . . . . . 0 CA--C 1.549 0.921 0 C-N-CA 124.057 0.943 . . . . 0.0 109.856 179.759 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.678 0 CA-C-O 120.045 -0.308 . . . . 0.0 113.577 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.5 m -98.53 119.27 46.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 118.064 0.932 . . . . 0.0 113.031 -175.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.518 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 2.6 m -80.0 105.47 11.3 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.994 177.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -104.35 137.72 41.83 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.467 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -111.41 145.65 17.37 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.275 -175.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -126.23 132.81 51.65 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 59.63 29.72 19.29 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-O 122.229 1.014 . . . . 0.0 109.597 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.99 6.19 81.92 Favored Glycine 0 CA--C 1.521 0.433 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.66 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.8 t -108.22 119.76 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.072 0 C-N-CA 123.57 0.748 . . . . 0.0 109.389 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -124.61 134.24 53.0 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -173.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 27.3 m -123.79 134.34 66.73 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 CA-C-O 120.589 0.233 . . . . 0.0 111.621 -177.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 10.9 m -88.98 106.12 18.22 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-O 121.216 0.531 . . . . 0.0 109.961 176.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -117.33 124.82 49.89 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 177.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 . . . . . 0 CA--C 1.546 0.817 0 CA-C-O 122.618 1.199 . . . . 0.0 108.502 -175.623 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.759 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 52.2 t -98.91 113.9 35.09 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 70.8 m -98.77 106.98 19.31 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-O 121.584 0.707 . . . . 0.0 109.883 176.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 . . . . . 0 C--N 1.297 -1.711 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.117 179.425 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 . . . . . 0 N--CA 1.439 -0.983 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 52.48 69.06 0.73 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.356 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.47 -36.22 4.13 Favored Glycine 0 C--N 1.311 -0.812 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.146 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.5 t . . . . . 0 C--O 1.239 0.544 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.439 -0.996 0 CA-C-O 121.191 0.52 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 84.2 m -100.39 105.2 16.67 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 175.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -131.32 118.83 20.88 Favored 'General case' 0 N--CA 1.417 -2.116 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.976 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 . . . . . 0 C--N 1.31 -1.15 0 CA-C-N 114.493 -1.231 . . . . 0.0 110.21 176.489 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.4 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.2 t -96.45 115.76 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.688 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.5 m -101.58 125.53 48.24 Favored 'General case' 0 C--N 1.284 -2.254 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? . . . . . 0 C--N 1.294 -1.826 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.656 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 . . . . . 0 N--CA 1.442 -0.842 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 66.62 26.32 9.76 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-O 122.118 0.961 . . . . 0.0 109.831 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.26 2.43 90.37 Favored Glycine 0 N--CA 1.441 -1.014 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.086 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.9 t . . . . . 0 C--N 1.308 -1.218 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.679 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 49.0 t . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.1 m -105.71 110.54 22.88 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.26 0.552 . . . . 0.0 110.21 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -136.49 123.97 22.15 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 . . . . . 0 CA--C 1.547 0.858 0 CA-C-O 122.576 1.179 . . . . 0.0 109.723 176.94 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.528 0 CA-C-O 121.057 0.254 . . . . 0.0 112.59 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.0 t -106.45 107.97 24.01 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.4 m -94.29 107.73 19.66 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-O 121.32 0.581 . . . . 0.0 109.838 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.57 ' HA ' ' HE ' ' A' ' 4' ' ' ARG . 1.7 tpm_? . . . . . 0 C--N 1.297 -1.7 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.406 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? . . . . . 0 N--CA 1.442 -0.85 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 58.18 53.78 6.33 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.809 -175.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.19 -37.98 3.25 Favored Glycine 0 C--N 1.315 -0.607 0 CA-C-N 115.206 -0.907 . . . . 0.0 113.392 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.0 t . . . . . 0 C--N 1.317 -0.832 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -177.901 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.426 -1.668 0 CA-C-O 121.362 0.601 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 99.8 m -103.6 109.75 21.55 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -143.28 129.55 19.87 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.303 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 . . . . . 0 N--CA 1.476 0.836 0 C-N-CA 124.002 0.921 . . . . 0.0 110.694 176.9 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.707 0 CA-C-O 120.305 -0.164 . . . . 0.0 113.445 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 98.8 t -84.94 113.76 24.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 79.2 m -112.66 119.86 39.56 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.819 -176.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 . . . . . 0 C--N 1.315 -0.895 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 176.144 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 . . . . . 0 N--CA 1.436 -1.16 0 CA-C-O 121.381 0.61 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 53.94 66.02 1.35 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.086 1.355 . . . . 0.0 111.671 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.31 -26.23 18.52 Favored Glycine 0 C--N 1.311 -0.851 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.174 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.9 t . . . . . 0 C--N 1.309 -1.163 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.892 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 28.2 m . . . . . 0 N--CA 1.445 -0.698 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.6 m -118.28 139.67 50.98 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 120.826 0.345 . . . . 0.0 111.474 -176.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -138.86 109.58 6.66 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.302 175.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 . . . . . 0 CA--C 1.546 0.813 0 C-N-CA 124.584 1.154 . . . . 0.0 110.47 179.854 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.699 0 N-CA-C 113.732 0.253 . . . . 0.0 113.732 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.0 t -124.93 114.56 40.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 O-C-N 122.008 -0.701 . . . . 0.0 109.854 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 90.0 m -94.2 112.82 24.66 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.052 0.453 . . . . 0.0 110.404 176.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 . . . . . 0 C--N 1.309 -1.169 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.971 177.619 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 . . . . . 0 N--CA 1.439 -0.99 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 59.35 65.99 1.09 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.015 0.926 . . . . 0.0 110.969 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.45 -29.14 4.08 Favored Glycine 0 C--N 1.311 -0.861 0 CA-C-N 115.84 -0.618 . . . . 0.0 113.445 176.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.316 -0.861 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 -179.696 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 N--CA 1.433 -1.316 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 76.0 m -93.06 105.95 17.98 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 174.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -127.68 122.02 31.9 Favored 'General case' 0 N--CA 1.419 -1.99 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.133 -178.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.9 ttt180 . . . . . 0 C--O 1.245 0.863 0 C-N-CA 125.018 1.327 . . . . 0.0 111.755 175.138 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.855 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.4 t -96.29 108.43 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.208 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.7 m -94.39 110.42 22.19 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.388 0.613 . . . . 0.0 109.898 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 . . . . . 0 C--N 1.296 -1.726 0 CA-C-N 115.3 -0.863 . . . . 0.0 108.715 -179.83 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 . . . . . 0 N--CA 1.429 -1.525 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 44.42 75.11 0.11 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 126.228 1.811 . . . . 0.0 112.838 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.94 -37.85 3.29 Favored Glycine 0 N--CA 1.436 -1.326 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.272 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.1 t . . . . . 0 C--N 1.312 -1.027 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.584 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.1 t . . . . . 0 N--CA 1.44 -0.969 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.2 m -105.23 106.28 16.7 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -132.19 127.38 35.72 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 . . . . . 0 CA--C 1.546 0.826 0 CA-C-O 122.431 1.11 . . . . 0.0 110.221 178.246 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.104 0 N-CA-C 112.584 -0.207 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 45.6 t -87.9 111.59 22.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 74.8 m -93.87 108.14 19.96 Favored 'General case' 0 C--N 1.282 -2.356 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.844 -175.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 . . . . . 0 N--CA 1.436 -1.166 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.453 -179.786 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 . . . . . 0 CA--C 1.497 -1.063 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? 60.86 25.73 15.64 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 122.169 0.985 . . . . 0.0 110.643 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.48 29.86 65.32 Favored Glycine 0 N--CA 1.441 -1.029 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.975 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 C--O 1.252 1.218 0 CA-C-O 121.259 0.552 . . . . 0.0 110.37 176.093 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 64.4 t . . . . . 0 N--CA 1.441 -0.876 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 62.1 m -95.17 117.72 30.72 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-O 121.536 0.684 . . . . 0.0 111.241 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -115.47 108.11 16.05 Favored 'General case' 0 N--CA 1.428 -1.556 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 . . . . . 0 CA--C 1.554 1.117 0 C-N-CA 124.604 1.162 . . . . 0.0 110.946 -179.708 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.154 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.7 t -95.3 108.08 20.44 Favored 'Isoleucine or valine' 0 C--O 1.25 1.115 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 97.1 m -91.62 112.65 24.66 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.409 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 . . . . . 0 N--CA 1.424 -1.749 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.305 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.672 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 1.9 tpm_? . . . . . 0 N--CA 1.418 -2.053 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 55.92 71.64 0.54 Allowed 'General case' 0 C--O 1.248 0.981 0 C-N-CA 125.546 1.538 . . . . 0.0 111.386 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.84 -41.47 2.21 Favored Glycine 0 C--N 1.305 -1.164 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.776 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.3 t . . . . . 0 C--N 1.307 -1.267 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.916 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.433 -1.297 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.6 m -111.38 121.4 45.13 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -138.55 133.93 33.21 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? . . . . . 0 N--CA 1.483 1.22 0 C-N-CA 124.079 0.951 . . . . 0.0 110.537 -179.473 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.235 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.9 t -103.48 122.18 55.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 82.0 m -92.89 104.59 16.82 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.835 0.826 . . . . 0.0 110.056 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 . . . . . 0 N--CA 1.429 -1.502 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.771 -175.168 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 . . . . . 0 N--CA 1.445 -0.709 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 57.31 57.14 4.63 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.959 0.904 . . . . 0.0 110.715 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.44 -33.78 4.79 Favored Glycine 0 C--N 1.309 -0.948 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.591 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.4 t . . . . . 0 C--N 1.32 -0.686 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.178 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.439 -0.976 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 57.8 m -104.17 110.35 22.52 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 121.127 0.489 . . . . 0.0 110.603 -178.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -129.43 134.52 47.88 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.4 tpp180 . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 122.179 0.99 . . . . 0.0 109.893 -178.068 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.978 0 N-CA-C 114.42 0.528 . . . . 0.0 114.42 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 8.0 p -107.09 128.35 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 117.812 0.806 . . . . 0.0 110.203 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 99.0 m -110.1 115.15 29.24 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.418 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 . . . . . 0 C--N 1.297 -1.7 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.59 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 . . . . . 0 N--CA 1.44 -0.932 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 62.06 34.86 16.24 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 122.52 1.153 . . . . 0.0 109.36 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.03 -14.7 58.24 Favored Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 114.859 -1.064 . . . . 0.0 112.478 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.0 t . . . . . 0 C--N 1.311 -1.105 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -178.942 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 65.5 t . . . . . 0 N--CA 1.44 -0.968 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 2' ' ' VAL . 90.4 m -112.3 106.9 15.56 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.8 ptt85 -144.99 139.05 27.23 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 . . . . . 0 CA--C 1.553 1.073 0 CA-C-O 122.184 0.992 . . . . 0.0 110.443 -179.4 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.666 0 CA-C-O 119.83 -0.428 . . . . 0.0 113.614 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.8 p -101.19 132.03 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.801 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 77.9 m -110.51 139.51 45.68 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.688 -177.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 . . . . . 0 C--N 1.303 -1.414 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.481 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 . . . . . 0 N--CA 1.436 -1.168 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 57.63 54.26 6.53 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 124.153 0.981 . . . . 0.0 110.021 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.78 -24.04 22.82 Favored Glycine 0 C--N 1.313 -0.706 0 CA-C-N 115.51 -0.768 . . . . 0.0 113.092 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 70.4 t . . . . . 0 C--N 1.314 -0.965 0 CA-C-O 120.892 0.377 . . . . 0.0 110.339 -178.648 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 17.8 m . . . . . 0 N--CA 1.432 -1.366 0 CA-C-O 121.036 0.446 . . . . 0.0 110.784 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.5 m -109.79 115.43 29.83 Favored 'General case' 0 C--N 1.287 -2.144 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -132.61 121.23 22.88 Favored 'General case' 0 N--CA 1.424 -1.73 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -176.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.505 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 2.0 tpm_? . . . . . 0 CA--C 1.555 1.137 0 CA-C-O 122.664 1.221 . . . . 0.0 111.549 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.314 0 N-CA-C 113.595 0.198 . . . . 0.0 113.595 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 p -138.72 135.49 43.28 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 CA-C-N 117.434 0.617 . . . . 0.0 111.345 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 81.1 m -91.74 105.32 17.63 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 121.759 0.79 . . . . 0.0 109.13 176.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 . . . . . 0 C--N 1.306 -1.325 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.532 -175.172 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 . . . . . 0 N--CA 1.432 -1.338 0 CA-C-O 121.313 0.578 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 56.63 59.21 3.68 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.418 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.13 -34.62 5.25 Favored Glycine 0 C--N 1.305 -1.187 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.143 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.319 -0.743 0 C-N-CA 122.556 0.342 . . . . 0.0 110.505 -179.118 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.445 -0.693 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 63.3 m -98.06 104.37 16.4 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.136 0.493 . . . . 0.0 109.878 179.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -133.22 139.37 46.94 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.267 -177.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 . . . . . 0 CA--C 1.549 0.922 0 CA-C-O 121.655 0.741 . . . . 0.0 112.877 170.101 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.606 0 CA-C-O 119.807 -0.441 . . . . 0.0 113.314 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.1 m -116.28 145.46 22.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 117.864 0.832 . . . . 0.0 112.321 -176.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.434 ' O ' ' HD2' ' A' ' 4' ' ' ARG . 69.4 m -104.78 132.44 51.02 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.511 178.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.434 ' HD2' ' O ' ' A' ' 3' ' ' CYS . 15.8 mmm180 . . . . . 0 C--N 1.319 -0.718 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 . . . . . 0 N--CA 1.423 -1.816 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 62.4 30.76 17.39 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 124.238 1.015 . . . . 0.0 110.734 175.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.87 -4.34 78.5 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.533 -0.842 . . . . 0.0 113.633 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.443 -0.798 0 CA-C-N 117.436 0.618 . . . . 0.0 110.55 178.737 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.428 -1.542 0 CA-C-O 121.252 0.549 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 84.5 m -106.65 117.5 34.2 Favored 'General case' 0 C--N 1.281 -2.385 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -150.97 143.78 24.5 Favored 'General case' 0 N--CA 1.432 -1.332 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 . . . . . 0 CA--C 1.547 0.857 0 CA-C-O 122.01 0.91 . . . . 0.0 109.744 176.692 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.6 t -101.93 111.57 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.9 m -101.83 130.98 48.41 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 . . . . . 0 C--N 1.306 -1.291 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 176.51 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 . . . . . 0 N--CA 1.434 -1.229 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 66.02 27.47 10.66 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 122.726 1.25 . . . . 0.0 110.249 -178.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.22 -3.95 86.45 Favored Glycine 0 N--CA 1.442 -0.902 0 CA-C-N 115.079 -0.964 . . . . 0.0 113.796 175.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 m . . . . . 0 C--N 1.304 -1.411 0 CA-C-N 117.495 0.648 . . . . 0.0 110.526 -179.46 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.9 t . . . . . 0 N--CA 1.445 -0.684 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.1 m -110.82 118.73 36.91 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -147.4 134.3 20.2 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 . . . . . 0 CA--C 1.551 1.001 0 CA-C-O 122.361 1.076 . . . . 0.0 110.183 -178.724 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.644 0 N-CA-C 111.818 -0.513 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.7 t -95.44 123.6 47.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 87.5 m -113.87 123.95 51.02 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.331 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--N 1.305 -1.333 0 CA-C-O 121.19 0.519 . . . . 0.0 109.985 -178.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 . . . . . 0 N--CA 1.431 -1.413 0 CA-C-O 121.561 0.696 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 58.99 65.32 1.23 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.086 -1.415 . . . . 0.0 110.857 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.21 -28.42 5.66 Favored Glycine 0 C--N 1.309 -0.953 0 CA-C-N 115.15 -0.932 . . . . 0.0 113.25 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.316 -0.864 0 O-C-N 122.537 -0.39 . . . . 0.0 110.244 -178.365 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 32.2 m . . . . . 0 N--CA 1.445 -0.701 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.5 m -133.7 133.97 42.49 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 123.067 0.229 . . . . 0.0 110.645 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -159.91 137.66 9.9 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 174.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 122.166 0.984 . . . . 0.0 109.883 179.233 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.31 0 N-CA-C 111.823 -0.511 . . . . 0.0 111.823 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 p -116.26 140.85 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 68.3 m -105.72 132.91 51.27 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.134 0.492 . . . . 0.0 111.135 -178.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 . . . . . 0 C--N 1.305 -1.349 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 177.807 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 . . . . . 0 N--CA 1.438 -1.026 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 53.96 71.78 0.49 Allowed 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 114.294 -1.321 . . . . 0.0 111.038 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.45 -36.91 3.6 Favored Glycine 0 C--N 1.309 -0.958 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.743 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.3 t . . . . . 0 C--N 1.317 -0.81 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -179.386 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.441 -0.892 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.3 m -105.51 120.51 41.81 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 121.272 0.558 . . . . 0.0 110.402 -179.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -142.26 136.85 30.21 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 . . . . . 0 N--CA 1.483 1.202 0 C-N-CA 123.924 0.89 . . . . 0.0 110.587 178.534 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.649 0 N-CA-C 112.904 -0.078 . . . . 0.0 112.904 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.2 p -98.66 124.59 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.208 0 C-N-CA 119.681 -0.808 . . . . 0.0 112.079 -175.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 72.5 m -98.27 122.76 41.84 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 176.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? . . . . . 0 C--N 1.298 -1.634 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.562 -177.943 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 . . . . . 0 N--CA 1.441 -0.905 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 61.94 30.32 18.05 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.432 1.093 . . . . 0.0 110.271 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.09 22.21 78.9 Favored Glycine 0 CA--C 1.524 0.621 0 CA-C-N 115.549 -0.751 . . . . 0.0 113.4 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.4 p . . . . . 0 C--N 1.31 -1.135 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 177.536 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 31.6 m . . . . . 0 N--CA 1.432 -1.331 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.0 m -115.06 112.99 23.46 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 176.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -146.06 136.08 23.59 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.45 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 3.4 tpm_? . . . . . 0 CA--C 1.546 0.826 0 CA-C-O 121.961 0.886 . . . . 0.0 109.839 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.852 0 CA-C-O 120.346 -0.141 . . . . 0.0 113.0 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 13.2 p -106.24 141.46 21.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.7 m -119.42 119.02 32.7 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.036 0.446 . . . . 0.0 110.675 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 . . . . . 0 C--N 1.298 -1.649 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.422 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 . . . . . 0 N--CA 1.438 -1.047 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 71.67 26.26 3.13 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 122.791 1.281 . . . . 0.0 108.88 -176.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.61 36.95 93.77 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 114.133 -1.394 . . . . 0.0 113.64 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.305 -1.337 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.926 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 0 N--CA 1.424 -1.731 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 2' ' ' VAL . 83.2 m -105.01 117.47 34.07 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 174.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -147.28 134.65 20.72 Favored 'General case' 0 N--CA 1.425 -1.681 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 . . . . . 0 CA--C 1.556 1.18 0 C-N-CA 123.939 0.896 . . . . 0.0 111.193 176.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.026 0 CA-C-O 119.889 -0.395 . . . . 0.0 113.851 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 17' ' ' ARG . 29.5 m -101.63 132.22 47.95 Favored 'Isoleucine or valine' 0 C--O 1.247 0.953 0 CA-C-N 118.127 0.963 . . . . 0.0 109.636 177.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.8 m -117.66 140.7 49.3 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.603 -176.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 . . . . . 0 N--CA 1.425 -1.675 0 CA-C-N 115.057 -0.974 . . . . 0.0 108.62 173.815 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 . . . . . 0 N--CA 1.431 -1.398 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.556 ' HA ' ' NE ' ' A' ' 9' ' ' ARG . 2.2 tpm_? 61.95 31.78 18.0 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 122.316 1.055 . . . . 0.0 109.574 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.67 -16.99 52.46 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.548 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.304 -1.398 0 O-C-N 122.536 -0.39 . . . . 0.0 110.25 -176.124 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 t . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.9 m -116.54 136.5 52.93 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-O 120.535 0.207 . . . . 0.0 110.729 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.433 ' O ' HG22 ' A' ' 2' ' ' VAL . 12.0 ptp180 -154.07 132.41 11.96 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 175.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 . . . . . 0 CA--C 1.549 0.921 0 C-N-CA 124.057 0.943 . . . . 0.0 109.856 179.759 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.678 0 CA-C-O 120.045 -0.308 . . . . 0.0 113.577 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.5 m -98.53 119.27 46.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 118.064 0.932 . . . . 0.0 113.031 -175.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.518 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 2.6 m -80.0 105.47 11.3 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.994 177.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 . . . . . 0 N--CA 1.427 -1.602 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.467 178.662 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 . . . . . 0 N--CA 1.429 -1.493 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 59.63 29.72 19.29 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-O 122.229 1.014 . . . . 0.0 109.597 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.99 6.19 81.92 Favored Glycine 0 CA--C 1.521 0.433 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.66 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.8 t . . . . . 0 N--CA 1.438 -1.072 0 C-N-CA 123.57 0.748 . . . . 0.0 109.389 -178.597 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 27.3 m . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.589 0.233 . . . . 0.0 111.621 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 10.9 m -88.98 106.12 18.22 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-O 121.216 0.531 . . . . 0.0 109.961 176.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -117.33 124.82 49.89 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 177.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 . . . . . 0 CA--C 1.546 0.817 0 CA-C-O 122.618 1.199 . . . . 0.0 108.502 -175.623 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.759 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 52.2 t -98.91 113.9 35.09 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 70.8 m -98.77 106.98 19.31 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-O 121.584 0.707 . . . . 0.0 109.883 176.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -104.9 109.97 22.16 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.117 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . 0.423 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.4 t -93.72 142.65 13.0 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -113.35 74.81 0.88 Allowed 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 52.48 69.06 0.73 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.356 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.47 -36.22 4.13 Favored Glycine 0 C--N 1.311 -0.812 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.146 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.5 t -75.49 91.03 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.544 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -132.85 96.12 3.72 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . 0.423 ' HA ' ' HA ' ' A' ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.2 m -102.76 118.22 49.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-O 121.191 0.52 . . . . 0.0 111.433 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 84.2 m -100.39 105.2 16.67 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 175.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -131.32 118.83 20.88 Favored 'General case' 0 N--CA 1.417 -2.116 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.976 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 . . . . . 0 C--N 1.31 -1.15 0 CA-C-N 114.493 -1.231 . . . . 0.0 110.21 176.489 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.4 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.2 t -96.45 115.76 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.688 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.5 m -101.58 125.53 48.24 Favored 'General case' 0 C--N 1.284 -2.254 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -113.5 109.37 18.54 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.1 t -110.45 153.71 12.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -126.85 116.62 21.13 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 66.62 26.32 9.76 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-O 122.118 0.961 . . . . 0.0 109.831 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.26 2.43 90.37 Favored Glycine 0 N--CA 1.441 -1.014 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.086 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.9 t -98.05 122.74 50.01 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.218 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -113.98 102.61 10.35 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 49.0 t -96.8 116.14 38.17 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.326 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.486 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.1 m -105.71 110.54 22.88 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.26 0.552 . . . . 0.0 110.21 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -136.49 123.97 22.15 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 . . . . . 0 CA--C 1.547 0.858 0 CA-C-O 122.576 1.179 . . . . 0.0 109.723 176.94 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.528 0 CA-C-O 121.057 0.254 . . . . 0.0 112.59 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.0 t -106.45 107.97 24.01 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.4 m -94.29 107.73 19.66 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-O 121.32 0.581 . . . . 0.0 109.838 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.57 ' HA ' ' HE ' ' A' ' 4' ' ' ARG . 1.7 tpm_? -104.91 110.06 22.28 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.406 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . 0.474 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.7 t -92.88 143.41 11.48 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -92.85 75.33 4.87 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 58.18 53.78 6.33 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.809 -175.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.19 -37.98 3.25 Favored Glycine 0 C--N 1.315 -0.607 0 CA-C-N 115.206 -0.907 . . . . 0.0 113.392 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.0 t -75.42 132.83 32.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -119.25 87.51 2.75 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 176.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . 0.474 ' HA ' ' HA ' ' A' ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.8 m -94.89 115.07 32.81 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.87 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.916 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 99.8 m -103.6 109.75 21.55 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -143.28 129.55 19.87 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.303 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 . . . . . 0 N--CA 1.476 0.836 0 C-N-CA 124.002 0.921 . . . . 0.0 110.694 176.9 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.707 0 CA-C-O 120.305 -0.164 . . . . 0.0 113.445 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 98.8 t -84.94 113.76 24.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 79.2 m -112.66 119.86 39.56 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.819 -176.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -107.38 133.59 51.68 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 176.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 31.3 m -102.01 131.71 49.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 CA-C-O 121.127 0.489 . . . . 0.0 110.483 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -98.22 71.66 2.1 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.381 0.61 . . . . 0.0 110.246 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 53.94 66.02 1.35 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.086 1.355 . . . . 0.0 111.671 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.31 -26.23 18.52 Favored Glycine 0 C--N 1.311 -0.851 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.174 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.9 t -89.27 98.49 8.12 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 tpp85 -133.36 130.49 38.88 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.598 -176.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 28.2 m -98.72 131.03 46.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.6 m -118.28 139.67 50.98 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 120.826 0.345 . . . . 0.0 111.474 -176.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -138.86 109.58 6.66 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.302 175.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 . . . . . 0 CA--C 1.546 0.813 0 C-N-CA 124.584 1.154 . . . . 0.0 110.47 179.854 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.699 0 N-CA-C 113.732 0.253 . . . . 0.0 113.732 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.0 t -124.93 114.56 40.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 O-C-N 122.008 -0.701 . . . . 0.0 109.854 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 90.0 m -94.2 112.82 24.66 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.052 0.453 . . . . 0.0 110.404 176.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -107.45 109.72 21.49 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.971 177.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . 0.482 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.4 t -104.89 130.04 56.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . 0.433 ' HA ' ' O ' ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -121.16 95.01 4.52 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 59.35 65.99 1.09 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.015 0.926 . . . . 0.0 110.969 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.45 -29.14 4.08 Favored Glycine 0 C--N 1.311 -0.861 0 CA-C-N 115.84 -0.618 . . . . 0.0 113.445 176.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 7' ' ' ABA . 46.7 t -78.5 105.36 7.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -117.48 86.61 2.55 Favored 'General case' 0 C--N 1.28 -2.451 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . 0.482 ' HA ' ' HA ' ' A' ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.8 t -102.46 112.09 34.55 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.713 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 76.0 m -93.06 105.95 17.98 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 174.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -127.68 122.02 31.9 Favored 'General case' 0 N--CA 1.419 -1.99 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.133 -178.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.9 ttt180 . . . . . 0 C--O 1.245 0.863 0 C-N-CA 125.018 1.327 . . . . 0.0 111.755 175.138 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.855 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.4 t -96.29 108.43 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.208 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.7 m -94.39 110.42 22.19 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.388 0.613 . . . . 0.0 109.898 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -106.9 109.67 21.63 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 115.3 -0.863 . . . . 0.0 108.715 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 m -82.84 103.48 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 CA-C-O 122.017 0.913 . . . . 0.0 108.986 176.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -119.59 84.02 2.14 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 115.138 -0.937 . . . . 0.0 108.739 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 44.42 75.11 0.11 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 126.228 1.811 . . . . 0.0 112.838 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.94 -37.85 3.29 Favored Glycine 0 N--CA 1.436 -1.326 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.272 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.1 t -83.89 99.2 6.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -135.5 120.73 18.97 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 176.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.1 t -90.18 110.27 21.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.481 -176.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.2 m -105.23 106.28 16.7 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -132.19 127.38 35.72 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 . . . . . 0 CA--C 1.546 0.826 0 CA-C-O 122.431 1.11 . . . . 0.0 110.221 178.246 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.104 0 N-CA-C 112.584 -0.207 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 45.6 t -87.9 111.59 22.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.483 ' HB3' ' CG ' ' A' ' 14' ' ' ABA . 74.8 m -93.87 108.14 19.96 Favored 'General case' 0 C--N 1.282 -2.356 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.844 -175.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -106.15 124.49 49.66 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.453 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . 0.454 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -120.7 142.24 37.54 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-O 121.64 0.733 . . . . 0.0 110.604 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -134.04 141.11 47.08 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? 60.86 25.73 15.64 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 122.169 0.985 . . . . 0.0 110.643 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.48 29.86 65.32 Favored Glycine 0 N--CA 1.441 -1.029 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.975 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.5 p -144.62 133.33 18.08 Favored 'Isoleucine or valine' 0 C--O 1.252 1.218 0 CA-C-O 121.259 0.552 . . . . 0.0 110.37 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -113.19 131.42 55.88 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 -176.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . 0.483 ' CG ' ' HB3' ' A' ' 3' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 64.4 t -107.7 120.0 58.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 62.1 m -95.17 117.72 30.72 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-O 121.536 0.684 . . . . 0.0 111.241 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -115.47 108.11 16.05 Favored 'General case' 0 N--CA 1.428 -1.556 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 . . . . . 0 CA--C 1.554 1.117 0 C-N-CA 124.604 1.162 . . . . 0.0 110.946 -179.708 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.154 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.7 t -95.3 108.08 20.44 Favored 'Isoleucine or valine' 0 C--O 1.25 1.115 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 97.1 m -91.62 112.65 24.66 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.409 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -111.05 123.18 49.68 Favored 'General case' 0 N--CA 1.424 -1.749 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.404 HG23 ' HB3' ' A' ' 13' ' ' ARG . 15.4 m -93.5 108.86 21.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 CA-C-O 122.062 0.934 . . . . 0.0 109.472 178.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . 0.401 ' HG2' ' HG2' ' A' ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.672 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 1.9 tpm_? -122.21 68.72 0.94 Allowed 'General case' 0 N--CA 1.418 -2.053 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 174.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 55.92 71.64 0.54 Allowed 'General case' 0 C--O 1.248 0.981 0 C-N-CA 125.546 1.538 . . . . 0.0 111.386 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.84 -41.47 2.21 Favored Glycine 0 C--N 1.305 -1.164 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.776 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.3 t -79.38 104.3 7.29 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . 0.401 ' HG2' ' HG2' ' A' ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.404 ' HB3' HG23 ' A' ' 6' ' ' VAL . 54.5 ttt180 -105.56 96.23 6.36 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 174.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -118.76 124.51 73.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.6 m -111.38 121.4 45.13 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -138.55 133.93 33.21 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? . . . . . 0 N--CA 1.483 1.22 0 C-N-CA 124.079 0.951 . . . . 0.0 110.537 -179.473 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.235 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.9 t -103.48 122.18 55.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 82.0 m -92.89 104.59 16.82 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.835 0.826 . . . . 0.0 110.056 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -95.74 125.19 40.15 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.771 -175.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.7 m -86.89 110.74 20.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 CA-C-O 121.893 0.854 . . . . 0.0 111.218 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -117.22 89.83 3.2 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 57.31 57.14 4.63 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.959 0.904 . . . . 0.0 110.715 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.44 -33.78 4.79 Favored Glycine 0 C--N 1.309 -0.948 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.591 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.4 t -75.68 107.24 6.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -92.46 116.4 28.95 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.866 -176.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 p -136.26 132.65 49.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.274 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 57.8 m -104.17 110.35 22.52 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 121.127 0.489 . . . . 0.0 110.603 -178.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -129.43 134.52 47.88 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.4 tpp180 . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 122.179 0.99 . . . . 0.0 109.893 -178.068 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.978 0 N-CA-C 114.42 0.528 . . . . 0.0 114.42 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 8.0 p -107.09 128.35 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 117.812 0.806 . . . . 0.0 110.203 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 99.0 m -110.1 115.15 29.24 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.418 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -118.03 110.25 17.44 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . 0.444 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.3 p -121.09 136.48 57.9 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 CA-C-O 121.562 0.696 . . . . 0.0 110.546 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -117.42 111.89 19.92 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.204 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 62.06 34.86 16.24 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 122.52 1.153 . . . . 0.0 109.36 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.03 -14.7 58.24 Favored Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 114.859 -1.064 . . . . 0.0 112.478 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.0 t -86.3 98.12 6.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -178.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -92.69 122.3 34.97 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 -176.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . 0.444 ' HA ' ' HA ' ' A' ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 65.5 t -94.62 110.01 23.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 2' ' ' VAL . 90.4 m -112.3 106.9 15.56 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.8 ptt85 -144.99 139.05 27.23 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 . . . . . 0 CA--C 1.553 1.073 0 CA-C-O 122.184 0.992 . . . . 0.0 110.443 -179.4 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.666 0 CA-C-O 119.83 -0.428 . . . . 0.0 113.614 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.8 p -101.19 132.03 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.801 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 77.9 m -110.51 139.51 45.68 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.688 -177.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -134.34 120.16 19.55 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.6 m -102.43 154.21 5.25 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.84 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . 0.413 ' HA ' ' O ' ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -96.15 92.92 6.64 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.064 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 57.63 54.26 6.53 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 124.153 0.981 . . . . 0.0 110.021 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.78 -24.04 22.82 Favored Glycine 0 C--N 1.313 -0.706 0 CA-C-N 115.51 -0.768 . . . . 0.0 113.092 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 7' ' ' ABA . 70.4 t -80.04 103.31 6.86 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-O 120.892 0.377 . . . . 0.0 110.339 -178.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -116.9 109.9 17.64 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.665 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 17.8 m -102.11 118.04 48.35 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.784 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.5 m -109.79 115.43 29.83 Favored 'General case' 0 C--N 1.287 -2.144 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -132.61 121.23 22.88 Favored 'General case' 0 N--CA 1.424 -1.73 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -176.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.505 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 2.0 tpm_? . . . . . 0 CA--C 1.555 1.137 0 CA-C-O 122.664 1.221 . . . . 0.0 111.549 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.314 0 N-CA-C 113.595 0.198 . . . . 0.0 113.595 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 p -138.72 135.49 43.28 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 CA-C-N 117.434 0.617 . . . . 0.0 111.345 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 81.1 m -91.74 105.32 17.63 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 121.759 0.79 . . . . 0.0 109.13 176.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.437 ' O ' ' HA ' ' A' ' 14' ' ' ABA . 30.3 mmm180 -95.08 114.38 26.18 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.532 -175.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.4 t -94.51 136.14 26.68 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -99.07 83.04 2.82 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.313 0.578 . . . . 0.0 110.294 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 56.63 59.21 3.68 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.418 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.13 -34.62 5.25 Favored Glycine 0 C--N 1.305 -1.187 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.143 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t -73.26 98.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 122.556 0.342 . . . . 0.0 110.505 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -94.62 100.36 12.32 Favored 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.669 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.2 t -110.73 133.91 54.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 63.3 m -98.06 104.37 16.4 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.136 0.493 . . . . 0.0 109.878 179.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -133.22 139.37 46.94 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.267 -177.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 . . . . . 0 CA--C 1.549 0.922 0 CA-C-O 121.655 0.741 . . . . 0.0 112.877 170.101 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.606 0 CA-C-O 119.807 -0.441 . . . . 0.0 113.314 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.1 m -116.28 145.46 22.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 117.864 0.832 . . . . 0.0 112.321 -176.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.434 ' O ' ' HD2' ' A' ' 4' ' ' ARG . 69.4 m -104.78 132.44 51.02 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.511 178.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.434 ' HD2' ' O ' ' A' ' 3' ' ' CYS . 15.8 mmm180 -128.19 123.86 35.34 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.0 m -96.08 133.36 37.59 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.022 -176.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -114.1 117.56 31.6 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.02 -176.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 62.4 30.76 17.39 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 124.238 1.015 . . . . 0.0 110.734 175.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.87 -4.34 78.5 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.533 -0.842 . . . . 0.0 113.633 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.9 p -117.33 126.92 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 CA-C-N 117.436 0.618 . . . . 0.0 110.55 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -125.18 126.48 45.3 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.036 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.7 m -91.12 126.57 43.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.398 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 84.5 m -106.65 117.5 34.2 Favored 'General case' 0 C--N 1.281 -2.385 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -150.97 143.78 24.5 Favored 'General case' 0 N--CA 1.432 -1.332 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 . . . . . 0 CA--C 1.547 0.857 0 CA-C-O 122.01 0.91 . . . . 0.0 109.744 176.692 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.6 t -101.93 111.57 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.9 m -101.83 130.98 48.41 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -128.55 115.03 17.49 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . 0.448 ' HA ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.6 m -130.53 144.71 37.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . 0.48 ' HA ' ' O ' ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.3 tpt180 -141.67 127.57 19.38 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 66.02 27.47 10.66 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 122.726 1.25 . . . . 0.0 110.249 -178.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.22 -3.95 86.45 Favored Glycine 0 N--CA 1.442 -0.902 0 CA-C-N 115.079 -0.964 . . . . 0.0 113.796 175.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' A' ' 7' ' ' ABA . 21.3 m -113.0 136.89 47.86 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-N 117.495 0.648 . . . . 0.0 110.526 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' O ' ' HA ' ' A' ' 5' ' ' ABA . 25.7 tpt180 -101.2 113.81 27.2 Favored 'General case' 0 C--N 1.286 -2.169 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.468 -175.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.9 t -91.38 112.35 25.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.076 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.1 m -110.82 118.73 36.91 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -147.4 134.3 20.2 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 . . . . . 0 CA--C 1.551 1.001 0 CA-C-O 122.361 1.076 . . . . 0.0 110.183 -178.724 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.644 0 N-CA-C 111.818 -0.513 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.7 t -95.44 123.6 47.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 87.5 m -113.87 123.95 51.02 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.331 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -122.79 123.64 41.5 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-O 121.19 0.519 . . . . 0.0 109.985 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . 0.463 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.7 m -103.78 113.99 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.784 0 CA-C-O 121.302 0.572 . . . . 0.0 109.691 177.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -108.64 89.25 2.94 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.561 0.696 . . . . 0.0 110.799 -177.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 58.99 65.32 1.23 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.086 -1.415 . . . . 0.0 110.857 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.21 -28.42 5.66 Favored Glycine 0 C--N 1.309 -0.953 0 CA-C-N 115.15 -0.932 . . . . 0.0 113.25 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t -84.02 104.78 12.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 O-C-N 122.537 -0.39 . . . . 0.0 110.244 -178.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -107.62 110.45 22.34 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.171 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . 0.463 ' HA ' ' HA ' ' A' ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 32.2 m -100.96 146.44 9.47 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.474 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.5 m -133.7 133.97 42.49 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 123.067 0.229 . . . . 0.0 110.645 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -159.91 137.66 9.9 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 174.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 122.166 0.984 . . . . 0.0 109.883 179.233 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.31 0 N-CA-C 111.823 -0.511 . . . . 0.0 111.823 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 p -116.26 140.85 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 68.3 m -105.72 132.91 51.27 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.134 0.492 . . . . 0.0 111.135 -178.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -116.35 116.49 27.82 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 12' ' ' ABA . 3.9 p -78.68 128.59 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.792 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.473 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -89.95 68.17 7.26 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 53.96 71.78 0.49 Allowed 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 114.294 -1.321 . . . . 0.0 111.038 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.45 -36.91 3.6 Favored Glycine 0 C--N 1.309 -0.958 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.743 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.3 t -81.21 98.11 3.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . 0.429 ' HA ' ' O ' ' A' ' 6' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -140.57 124.14 17.01 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -102.25 124.32 56.09 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.647 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.3 m -105.51 120.51 41.81 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 121.272 0.558 . . . . 0.0 110.402 -179.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -142.26 136.85 30.21 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 . . . . . 0 N--CA 1.483 1.202 0 C-N-CA 123.924 0.89 . . . . 0.0 110.587 178.534 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.649 0 N-CA-C 112.904 -0.078 . . . . 0.0 112.904 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.2 p -98.66 124.59 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.208 0 C-N-CA 119.681 -0.808 . . . . 0.0 112.079 -175.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 72.5 m -98.27 122.76 41.84 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 176.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -127.4 111.99 14.49 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.562 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . 0.527 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -97.46 143.38 12.72 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -115.72 124.38 50.69 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -176.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 61.94 30.32 18.05 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.432 1.093 . . . . 0.0 110.271 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.09 22.21 78.9 Favored Glycine 0 CA--C 1.524 0.621 0 CA-C-N 115.549 -0.751 . . . . 0.0 113.4 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.4 p -136.66 143.24 35.86 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 177.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -117.68 89.66 3.17 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 175.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . 0.527 ' HA ' ' HA ' ' A' ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 31.6 m -108.84 138.76 34.32 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.014 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.0 m -115.06 112.99 23.46 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 176.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -146.06 136.08 23.59 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.45 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 3.4 tpm_? . . . . . 0 CA--C 1.546 0.826 0 CA-C-O 121.961 0.886 . . . . 0.0 109.839 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.852 0 CA-C-O 120.346 -0.141 . . . . 0.0 113.0 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 13.2 p -106.24 141.46 21.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.7 m -119.42 119.02 32.7 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.036 0.446 . . . . 0.0 110.675 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -120.19 120.0 34.88 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . 0.516 ' HA ' ' HA ' ' A' ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.8 m -96.16 141.47 15.36 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.139 -179.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -139.71 135.83 33.57 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 71.67 26.26 3.13 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 122.791 1.281 . . . . 0.0 108.88 -176.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.61 36.95 93.77 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 114.133 -1.394 . . . . 0.0 113.64 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.5 p -152.41 145.81 15.42 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -107.27 103.13 12.42 Favored 'General case' 0 C--N 1.291 -1.971 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . 0.516 ' HA ' ' HA ' ' A' ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.2 t -92.64 110.49 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.731 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.999 -179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 2' ' ' VAL . 83.2 m -105.01 117.47 34.07 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 174.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -147.28 134.65 20.72 Favored 'General case' 0 N--CA 1.425 -1.681 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 . . . . . 0 CA--C 1.556 1.18 0 C-N-CA 123.939 0.896 . . . . 0.0 111.193 176.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.026 0 CA-C-O 119.889 -0.395 . . . . 0.0 113.851 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 17' ' ' ARG . 29.5 m -101.63 132.22 47.95 Favored 'Isoleucine or valine' 0 C--O 1.247 0.953 0 CA-C-N 118.127 0.963 . . . . 0.0 109.636 177.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.8 m -117.66 140.7 49.3 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.603 -176.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -121.87 109.9 15.21 Favored 'General case' 0 N--CA 1.425 -1.675 0 CA-C-N 115.057 -0.974 . . . . 0.0 108.62 173.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 p -123.62 130.52 74.03 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.208 0 CA-C-O 121.84 0.829 . . . . 0.0 111.307 -178.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . 0.4 ' HA ' ' O ' ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -126.7 122.52 35.13 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -177.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.556 ' HA ' ' NE ' ' A' ' 9' ' ' ARG . 2.2 tpm_? 61.95 31.78 18.0 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 122.316 1.055 . . . . 0.0 109.574 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.67 -16.99 52.46 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.548 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 7' ' ' ABA . 47.1 t -84.79 115.39 26.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 O-C-N 122.536 -0.39 . . . . 0.0 110.25 -176.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -106.68 124.99 50.42 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.908 -174.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 t -95.93 119.17 43.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.9 m -116.54 136.5 52.93 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-O 120.535 0.207 . . . . 0.0 110.729 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.433 ' O ' HG22 ' A' ' 2' ' ' VAL . 12.0 ptp180 -154.07 132.41 11.96 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 175.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 . . . . . 0 CA--C 1.549 0.921 0 C-N-CA 124.057 0.943 . . . . 0.0 109.856 179.759 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.678 0 CA-C-O 120.045 -0.308 . . . . 0.0 113.577 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.5 m -98.53 119.27 46.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 118.064 0.932 . . . . 0.0 113.031 -175.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.518 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 2.6 m -80.0 105.47 11.3 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.994 177.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -104.35 137.72 41.83 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.467 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -111.41 145.65 17.37 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.275 -175.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -126.23 132.81 51.65 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 59.63 29.72 19.29 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-O 122.229 1.014 . . . . 0.0 109.597 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.99 6.19 81.92 Favored Glycine 0 CA--C 1.521 0.433 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.66 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.8 t -108.22 119.76 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.072 0 C-N-CA 123.57 0.748 . . . . 0.0 109.389 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -124.61 134.24 53.0 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -173.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 27.3 m -123.79 134.34 66.73 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 CA-C-O 120.589 0.233 . . . . 0.0 111.621 -177.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 10.9 m -88.98 106.12 18.22 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-O 121.216 0.531 . . . . 0.0 109.961 176.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -117.33 124.82 49.89 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 177.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 . . . . . 0 CA--C 1.546 0.817 0 CA-C-O 122.618 1.199 . . . . 0.0 108.502 -175.623 . . . . . . . . 0 0 . 1 stop_ save_