data_2m2y_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 2m2y _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.5 m . . . . . 0 N--CA 1.426 -1.656 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t -101.94 119.69 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -174.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 62.4 m -109.63 133.66 52.86 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.168 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -130.11 98.76 4.84 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.846 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 58.27 45.58 16.95 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 122.415 1.102 . . . . 0.0 110.529 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.34 -19.0 52.85 Favored Glycine 0 N--CA 1.425 -2.096 0 CA-C-N 115.316 -0.856 . . . . 0.0 113.418 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.7 t -85.81 103.34 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.4 m -99.22 123.65 43.67 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.146 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -131.15 129.5 41.85 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.6 m . . . . . 0 C--N 1.285 -2.21 0 CA-C-O 121.655 0.741 . . . . 0.0 111.171 -175.657 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 84.7 m . . . . . 0 N--CA 1.427 -1.599 0 CA-C-O 121.02 0.438 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.6 t -112.3 122.33 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.282 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 55.6 m -102.75 119.86 39.58 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 177.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -146.76 136.33 22.98 Favored 'General case' 0 C--N 1.274 -2.684 0 CA-C-N 114.168 -1.378 . . . . 0.0 108.525 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.8 ttp-105 63.07 26.97 15.64 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 122.623 1.201 . . . . 0.0 110.1 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.34 0.86 90.21 Favored Glycine 0 N--CA 1.426 -1.969 0 CA-C-N 114.673 -1.148 . . . . 0.0 113.952 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 13.8 p -117.49 141.06 37.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 118.009 0.904 . . . . 0.0 109.652 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 67.1 m -104.44 114.9 29.43 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.214 0.53 . . . . 0.0 110.018 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -107.78 124.28 49.82 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 75.5 m . . . . . 0 N--CA 1.422 -1.873 0 CA-C-O 122.15 0.976 . . . . 0.0 112.282 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.3 m . . . . . 0 N--CA 1.443 -0.784 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.6 t -120.18 121.06 64.79 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 45.3 m -110.86 122.08 46.96 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 121.582 0.706 . . . . 0.0 110.053 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -123.86 115.63 21.63 Favored 'General case' 0 C--N 1.284 -2.273 0 CA-C-N 114.43 -1.259 . . . . 0.0 108.816 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.5 ttt-85 59.09 36.51 24.19 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.17 0.988 . . . . 0.0 110.386 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.17 -14.47 60.69 Favored Glycine 0 N--CA 1.434 -1.488 0 CA-C-N 115.409 -0.814 . . . . 0.0 113.36 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 40.5 t -90.91 116.13 31.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -178.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 81.7 m -100.19 126.73 46.5 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 121.264 0.554 . . . . 0.0 111.645 -178.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -120.1 120.19 35.52 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 105.816 -1.92 . . . . 0.0 105.816 175.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 C--N 1.285 -2.237 0 C-N-CA 119.491 -0.884 . . . . 0.0 112.1 -175.244 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.0 m . . . . . 0 N--CA 1.445 -0.708 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -114.12 125.97 71.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.96 -172.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 53.0 m -106.96 132.75 52.55 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -127.78 105.4 8.42 Favored 'General case' 0 C--N 1.288 -2.072 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.524 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 55.05 47.08 22.81 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-O 122.64 1.209 . . . . 0.0 110.286 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.36 -16.94 54.79 Favored Glycine 0 N--CA 1.433 -1.556 0 CA-C-N 114.532 -1.213 . . . . 0.0 113.894 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 44.9 t -86.27 104.13 13.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 81.6 m -92.62 119.6 32.21 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.237 0.541 . . . . 0.0 110.936 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -121.2 119.86 33.53 Favored 'General case' 0 N--CA 1.422 -1.831 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 -177.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.283 -2.297 0 C-N-CA 119.813 -0.755 . . . . 0.0 109.687 -178.008 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 16.4 t . . . . . 0 N--CA 1.423 -1.811 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.2 t -111.75 108.0 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.223 0 N-CA-C 108.112 -1.069 . . . . 0.0 108.112 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 63.1 m -110.22 120.11 41.39 Favored 'General case' 0 C--N 1.29 -2.019 0 CA-C-O 121.448 0.642 . . . . 0.0 109.453 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -127.85 108.44 10.72 Favored 'General case' 0 C--N 1.277 -2.551 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.53 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 61.73 33.14 18.09 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 122.544 1.164 . . . . 0.0 110.779 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.19 -23.43 33.4 Favored Glycine 0 N--CA 1.419 -2.447 0 CA-C-N 114.678 -1.147 . . . . 0.0 112.847 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 41.8 t -86.08 108.96 18.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-O 120.874 0.369 . . . . 0.0 110.371 -176.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.431 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 93.6 m -98.71 117.78 33.96 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.702 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -115.73 106.74 14.21 Favored 'General case' 0 N--CA 1.418 -2.068 0 N-CA-C 105.62 -1.993 . . . . 0.0 105.62 174.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 57.0 m . . . . . 0 N--CA 1.404 -2.757 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.808 -172.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 40.5 m . . . . . 0 C--O 1.236 0.386 0 N-CA-C 110.778 -0.082 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -132.45 130.61 60.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 85.7 m -114.14 128.79 56.54 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 174.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -140.6 114.09 8.7 Favored 'General case' 0 C--N 1.283 -2.295 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.893 -177.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 53.62 44.88 29.15 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 125.084 1.353 . . . . 0.0 111.77 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.59 -20.55 49.11 Favored Glycine 0 N--CA 1.43 -1.713 0 CA-C-N 115.186 -0.915 . . . . 0.0 113.808 177.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 93.3 t -92.86 118.62 38.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 117.224 0.512 . . . . 0.0 110.489 -177.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 90.0 m -107.48 115.6 30.45 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.128 0.49 . . . . 0.0 110.102 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -124.62 124.8 43.0 Favored 'General case' 0 N--CA 1.421 -1.9 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 20.7 t . . . . . 0 N--CA 1.407 -2.586 0 CA-C-O 122.643 1.211 . . . . 0.0 110.254 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.431 -1.379 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.2 t -104.75 116.65 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 86.3 m -121.62 132.51 54.71 Favored 'General case' 0 C--N 1.295 -1.8 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.955 177.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -132.93 98.67 4.36 Favored 'General case' 0 C--N 1.29 -2.0 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.488 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 49.65 58.39 5.49 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 125.334 1.454 . . . . 0.0 112.216 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.71 -20.45 38.65 Favored Glycine 0 N--CA 1.42 -2.431 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.958 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 45.2 t -87.14 105.13 14.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 93.3 m -106.84 139.34 41.41 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.487 0.66 . . . . 0.0 111.61 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -132.94 97.54 4.05 Favored 'General case' 0 N--CA 1.419 -1.999 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 174.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.4 m . . . . . 0 N--CA 1.415 -2.223 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.365 -175.334 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.1 m . . . . . 0 N--CA 1.44 -0.967 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 83.1 t -127.11 135.75 62.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.487 -173.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 62.7 m -112.16 136.1 51.98 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -144.09 120.66 11.08 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 47.68 48.03 17.51 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.689 1.196 . . . . 0.0 112.334 177.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.57 8.71 82.65 Favored Glycine 0 N--CA 1.425 -2.057 0 N-CA-C 115.418 0.927 . . . . 0.0 115.418 174.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.9 p -125.68 132.21 71.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 118.44 1.12 . . . . 0.0 109.529 173.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 73.4 m -111.82 122.45 47.83 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -129.19 125.16 36.38 Favored 'General case' 0 N--CA 1.417 -2.105 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.2 t . . . . . 0 N--CA 1.405 -2.714 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.102 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.0 m . . . . . 0 N--CA 1.433 -1.287 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 50.0 t -102.9 118.06 49.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 -176.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 38.5 m -101.86 132.17 47.79 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.239 0.542 . . . . 0.0 109.813 178.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -142.72 119.11 10.9 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 63.7 31.29 14.47 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 122.634 1.207 . . . . 0.0 109.431 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.03 -6.16 80.22 Favored Glycine 0 N--CA 1.427 -1.956 0 CA-C-N 114.71 -1.132 . . . . 0.0 113.471 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 61.3 t -96.55 114.85 34.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 117.369 0.585 . . . . 0.0 109.924 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 68.4 m -97.63 119.61 36.51 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.057 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.8 ttp85 -112.07 121.9 46.25 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 76.3 m . . . . . 0 C--N 1.29 -1.994 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -179.28 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 87.9 m . . . . . 0 N--CA 1.446 -0.635 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.2 t -113.53 136.64 49.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -174.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.5 m -115.4 129.82 56.7 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 121.669 0.747 . . . . 0.0 109.958 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -135.71 114.14 11.65 Favored 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 61.23 34.37 18.75 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-O 122.399 1.095 . . . . 0.0 109.611 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.79 -14.27 43.51 Favored Glycine 0 N--CA 1.439 -1.122 0 CA-C-N 115.567 -0.742 . . . . 0.0 113.169 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.3 t -83.92 103.37 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.0 m -91.9 125.55 36.65 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.809 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -129.02 128.41 43.58 Favored 'General case' 0 N--CA 1.42 -1.961 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.662 -177.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.411 -2.391 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 175.361 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.4 m . . . . . 0 N--CA 1.447 -0.623 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -130.43 142.69 43.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -178.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 33.5 m -116.16 140.54 49.19 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.719 -0.792 . . . . 0.0 111.303 -177.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -128.89 107.44 9.64 Favored 'General case' 0 N--CA 1.42 -1.957 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.968 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 52.92 53.41 12.12 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 125.007 1.323 . . . . 0.0 111.367 173.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.05 -23.59 25.89 Favored Glycine 0 N--CA 1.434 -1.465 0 CA-C-N 115.648 -0.706 . . . . 0.0 113.823 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.7 t -99.36 113.16 33.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 117.287 0.544 . . . . 0.0 110.194 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.1 m -87.27 138.03 31.83 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 121.031 0.443 . . . . 0.0 111.485 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -130.84 113.02 13.56 Favored 'General case' 0 N--CA 1.421 -1.906 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.669 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.8 m . . . . . 0 N--CA 1.421 -1.882 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 171.621 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 39.6 m . . . . . 0 N--CA 1.419 -1.985 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.9 t -117.99 126.94 75.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 -176.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 45.6 m -98.44 120.32 38.66 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.725 0.774 . . . . 0.0 109.879 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -135.1 127.55 30.52 Favored 'General case' 0 C--N 1.275 -2.633 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.436 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 3.1 tpm_? 60.67 33.58 20.24 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.968 0.907 . . . . 0.0 109.693 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.53 -2.05 59.48 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-N 115.261 -0.881 . . . . 0.0 113.694 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -104.13 126.16 58.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.9 m -105.89 115.03 29.54 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-O 120.665 0.269 . . . . 0.0 110.333 -178.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -109.82 141.61 42.25 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 61.4 m . . . . . 0 C--N 1.296 -1.747 0 CA-C-O 120.617 0.246 . . . . 0.0 111.179 -177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 36.6 m . . . . . 0 N--CA 1.424 -1.742 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.1 t -112.4 123.25 67.94 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 -176.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.6 m -112.35 131.45 55.52 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.363 0.601 . . . . 0.0 110.275 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -131.57 107.67 9.01 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.53 178.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 58.25 39.35 25.81 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.07 0.948 . . . . 0.0 110.601 177.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.1 -18.56 57.14 Favored Glycine 0 N--CA 1.425 -2.034 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.501 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.3 t -87.41 105.85 15.6 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 76.6 m -95.52 123.4 39.04 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.654 177.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -121.66 125.65 47.15 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 106.255 -1.758 . . . . 0.0 106.255 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.4 t . . . . . 0 C--N 1.295 -1.764 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -173.135 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 N--CA 1.426 -1.667 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -138.62 135.34 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.43 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 60.2 m -108.98 129.27 55.44 Favored 'General case' 0 N--CA 1.425 -1.703 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 175.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -140.57 112.46 7.62 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 6' ' ' ARG . 65.1 ttt180 57.92 37.72 26.87 Favored 'General case' 0 CA--C 1.556 1.209 0 CA-C-O 123.213 1.482 . . . . 0.0 110.69 -178.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.39 -15.54 62.72 Favored Glycine 0 N--CA 1.426 -1.989 0 CA-C-N 114.733 -1.121 . . . . 0.0 113.372 178.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 79.8 t -88.46 104.28 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 CA-C-O 120.855 0.359 . . . . 0.0 110.888 -177.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.1 m -94.15 107.98 19.87 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.53 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -108.53 103.04 12.08 Favored 'General case' 0 N--CA 1.409 -2.517 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 m . . . . . 0 N--CA 1.42 -1.943 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 175.906 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 70.0 m . . . . . 0 N--CA 1.432 -1.332 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.5 t -98.17 108.05 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.557 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -177.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 52.6 m -92.71 127.76 38.33 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-O 121.334 0.588 . . . . 0.0 109.483 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -140.51 115.62 9.82 Favored 'General case' 0 C--N 1.284 -2.258 0 CA-C-N 114.671 -1.149 . . . . 0.0 109.177 -178.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 51.03 46.62 26.17 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.145 0.978 . . . . 0.0 111.84 177.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.1 -13.34 67.9 Favored Glycine 0 N--CA 1.427 -1.945 0 CA-C-N 115.219 -0.901 . . . . 0.0 115.018 175.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 12.7 p -108.92 128.38 64.8 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.132 0 CA-C-N 118.401 1.1 . . . . 0.0 110.53 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.5 m -102.03 111.41 23.66 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.277 0.561 . . . . 0.0 110.695 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -96.61 106.89 19.24 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.8 m . . . . . 0 C--N 1.284 -2.254 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.054 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.4 m . . . . . 0 N--CA 1.437 -1.118 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 52.7 t -102.69 129.42 54.31 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 -177.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.5 m -116.12 134.59 54.77 Favored 'General case' 0 C--N 1.294 -1.821 0 CA-C-O 121.031 0.443 . . . . 0.0 109.834 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -145.74 129.75 17.41 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.173 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 61.1 27.13 16.97 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.249 1.02 . . . . 0.0 111.573 175.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.01 -6.85 76.59 Favored Glycine 0 N--CA 1.426 -2.026 0 CA-C-N 115.504 -0.771 . . . . 0.0 114.037 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.8 p -111.58 139.97 33.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 117.713 0.757 . . . . 0.0 109.937 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.5 m -112.09 147.84 35.19 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.109 0.48 . . . . 0.0 111.559 -178.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -138.11 128.42 26.09 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 176.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.1 m . . . . . 0 C--N 1.292 -1.906 0 CA-C-O 120.67 0.271 . . . . 0.0 110.34 -179.712 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.0 m . . . . . 0 N--CA 1.438 -1.061 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.3 t -104.75 121.72 56.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 -178.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 56.6 m -111.57 130.2 55.82 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 120.962 0.411 . . . . 0.0 110.474 -179.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -145.18 119.05 9.27 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 115.067 -0.969 . . . . 0.0 109.626 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 60.61 38.82 18.44 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 122.229 1.014 . . . . 0.0 110.31 175.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.76 -11.97 67.1 Favored Glycine 0 N--CA 1.435 -1.413 0 CA-C-N 114.918 -1.037 . . . . 0.0 113.311 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.524 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 55.9 t -91.83 102.43 13.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 O-C-N 122.516 -0.402 . . . . 0.0 109.917 -178.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.8 m -94.86 111.25 23.05 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -105.81 113.08 26.41 Favored 'General case' 0 N--CA 1.428 -1.561 0 C-N-CA 119.954 -0.698 . . . . 0.0 110.462 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.2 m . . . . . 0 C--N 1.286 -2.175 0 N-CA-C 104.023 -2.584 . . . . 0.0 104.023 170.738 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 21.8 m . . . . . 0 N--CA 1.432 -1.337 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.3 t -126.3 136.56 60.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -175.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.3 m -125.17 132.2 53.08 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 121.161 0.505 . . . . 0.0 110.021 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -145.33 132.61 20.57 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 175.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 61.32 30.54 19.13 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 122.563 1.173 . . . . 0.0 109.408 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.28 -1.68 64.19 Favored Glycine 0 N--CA 1.432 -1.633 0 CA-C-N 115.09 -0.959 . . . . 0.0 113.192 -178.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.3 t -92.68 107.45 19.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.6 m -96.81 129.04 44.3 Favored 'General case' 0 C--N 1.287 -2.143 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.65 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -133.72 138.36 45.76 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 105.51 -2.033 . . . . 0.0 105.51 175.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 6.7 t . . . . . 0 N--CA 1.401 -2.895 0 C-N-CA 118.25 -1.38 . . . . 0.0 109.521 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.437 -1.111 0 N-CA-C 108.085 -1.079 . . . . 0.0 108.085 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 9' ' ' CYS . 3.4 p -117.1 127.01 74.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 64.3 m -122.49 134.82 54.56 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 120.96 0.41 . . . . 0.0 110.117 178.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -136.31 109.84 7.98 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 175.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 62.24 32.58 17.13 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 122.163 0.982 . . . . 0.0 110.455 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.0 -12.01 70.63 Favored Glycine 0 N--CA 1.429 -1.79 0 CA-C-N 115.329 -0.851 . . . . 0.0 113.357 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 56.0 t -82.53 105.7 12.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 177.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 80.0 m -107.73 130.8 54.92 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.332 0.587 . . . . 0.0 111.549 -178.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -119.83 125.35 48.33 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 174.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.284 -2.242 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 -179.678 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 88.8 m . . . . . 0 N--CA 1.429 -1.513 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.2 t -100.35 108.74 23.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -177.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.644 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 86.2 m -108.57 119.72 40.33 Favored 'General case' 0 CA--C 1.487 -1.464 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -139.94 111.82 7.46 Favored 'General case' 0 C--N 1.274 -2.695 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.192 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 56.2 42.11 28.52 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 124.565 1.146 . . . . 0.0 110.435 174.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.86 -27.75 18.84 Favored Glycine 0 N--CA 1.42 -2.426 0 CA-C-N 115.387 -0.824 . . . . 0.0 113.31 177.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.644 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 49.0 t -83.43 104.62 12.18 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 O-C-N 122.535 -0.391 . . . . 0.0 110.686 -176.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.4 m -100.88 109.88 21.88 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 174.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -110.27 109.52 20.0 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.871 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.5 m . . . . . 0 C--N 1.304 -1.406 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.393 176.751 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 . . . . . 0 N--CA 1.447 -0.622 0 CA-C-O 121.437 0.637 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.5 m -120.65 137.59 54.37 Favored 'General case' 0 N--CA 1.426 -1.656 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 173.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t -101.94 119.69 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -174.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 62.4 m -109.63 133.66 52.86 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.168 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -130.11 98.76 4.84 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.846 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 58.27 45.58 16.95 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 122.415 1.102 . . . . 0.0 110.529 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.34 -19.0 52.85 Favored Glycine 0 N--CA 1.425 -2.096 0 CA-C-N 115.316 -0.856 . . . . 0.0 113.418 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.7 t -85.81 103.34 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.4 m -99.22 123.65 43.67 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.146 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -131.15 129.5 41.85 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.6 m -91.86 113.37 25.63 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-O 121.655 0.741 . . . . 0.0 111.171 -175.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.2 t -92.68 92.26 3.7 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 N-CA-C 106.128 -1.804 . . . . 0.0 106.128 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.6 m -89.32 158.9 17.63 Favored 'General case' 0 N--CA 1.415 -2.191 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.065 -175.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -100.18 83.16 2.63 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 39.15 63.17 0.98 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.138 1.775 . . . . 0.0 112.873 -177.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.66 -20.77 44.98 Favored Glycine 0 C--N 1.314 -0.667 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.781 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.2 t -95.36 86.21 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.935 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.0 m . . . . . 0 C--N 1.289 -2.056 0 CA-C-N 114.53 -1.213 . . . . 0.0 110.974 179.574 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 . . . . . 0 CA--C 1.507 -0.701 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 84.7 m -101.07 126.26 47.74 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 121.02 0.438 . . . . 0.0 110.239 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.6 t -112.3 122.33 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.282 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 55.6 m -102.75 119.86 39.58 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 177.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -146.76 136.33 22.98 Favored 'General case' 0 C--N 1.274 -2.684 0 CA-C-N 114.168 -1.378 . . . . 0.0 108.525 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.8 ttp-105 63.07 26.97 15.64 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 122.623 1.201 . . . . 0.0 110.1 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.34 0.86 90.21 Favored Glycine 0 N--CA 1.426 -1.969 0 CA-C-N 114.673 -1.148 . . . . 0.0 113.952 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 13.8 p -117.49 141.06 37.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 118.009 0.904 . . . . 0.0 109.652 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 67.1 m -104.44 114.9 29.43 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.214 0.53 . . . . 0.0 110.018 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -107.78 124.28 49.82 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 75.5 m -95.72 115.0 26.8 Favored 'General case' 0 N--CA 1.422 -1.873 0 CA-C-O 122.15 0.976 . . . . 0.0 112.282 -178.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.5 t -91.73 119.15 38.58 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.192 0 CA-C-N 113.832 -1.531 . . . . 0.0 107.19 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -143.39 161.33 38.66 Favored 'General case' 0 C--N 1.285 -2.196 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -122.71 78.27 1.52 Allowed 'General case' 0 C--N 1.282 -2.354 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.81 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 43.49 51.24 6.22 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 126.136 1.775 . . . . 0.0 112.329 177.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.33 -30.42 6.49 Favored Glycine 0 N--CA 1.426 -1.991 0 CA-C-N 115.131 -0.94 . . . . 0.0 112.304 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 t -86.67 78.19 1.53 Allowed 'Isoleucine or valine' 0 C--O 1.246 0.887 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.0 m . . . . . 0 C--N 1.286 -2.181 0 CA-C-N 114.113 -1.403 . . . . 0.0 109.535 -176.557 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 . . . . . 0 CA--C 1.511 -0.554 0 N-CA-C 111.703 0.261 . . . . 0.0 111.703 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.3 m -107.92 121.9 45.73 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 173.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.6 t -120.18 121.06 64.79 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 45.3 m -110.86 122.08 46.96 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 121.582 0.706 . . . . 0.0 110.053 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -123.86 115.63 21.63 Favored 'General case' 0 C--N 1.284 -2.273 0 CA-C-N 114.43 -1.259 . . . . 0.0 108.816 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.5 ttt-85 59.09 36.51 24.19 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.17 0.988 . . . . 0.0 110.386 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.17 -14.47 60.69 Favored Glycine 0 N--CA 1.434 -1.488 0 CA-C-N 115.409 -0.814 . . . . 0.0 113.36 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 40.5 t -90.91 116.13 31.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -178.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 81.7 m -100.19 126.73 46.5 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 121.264 0.554 . . . . 0.0 111.645 -178.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -120.1 120.19 35.52 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 105.816 -1.92 . . . . 0.0 105.816 175.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.8 t -133.13 145.78 51.0 Favored 'General case' 0 C--N 1.285 -2.237 0 C-N-CA 119.491 -0.884 . . . . 0.0 112.1 -175.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.96 128.07 73.96 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.817 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 170.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.1 t -102.03 166.35 10.67 Favored 'General case' 0 C--N 1.293 -1.886 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.393 -173.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -130.45 79.04 1.88 Allowed 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -178.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 38.66 60.29 1.39 Allowed 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.854 1.662 . . . . 0.0 112.732 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 108.71 -35.43 4.96 Favored Glycine 0 N--CA 1.436 -1.359 0 C-N-CA 120.241 -0.98 . . . . 0.0 113.421 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -100.57 87.51 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 CA-C-O 123.174 1.464 . . . . 0.0 108.617 -178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 m . . . . . 0 C--N 1.277 -2.546 0 CA-C-N 113.296 -1.774 . . . . 0.0 109.234 -176.276 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 2' ' ' CYS . 34.2 ttm180 . . . . . 0 C--O 1.242 0.7 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 1' ' ' ARG . 56.0 m -80.66 140.37 35.7 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 170.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -114.12 125.97 71.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.96 -172.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 53.0 m -106.96 132.75 52.55 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -127.78 105.4 8.42 Favored 'General case' 0 C--N 1.288 -2.072 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.524 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 55.05 47.08 22.81 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-O 122.64 1.209 . . . . 0.0 110.286 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.36 -16.94 54.79 Favored Glycine 0 N--CA 1.433 -1.556 0 CA-C-N 114.532 -1.213 . . . . 0.0 113.894 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 44.9 t -86.27 104.13 13.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 81.6 m -92.62 119.6 32.21 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.237 0.541 . . . . 0.0 110.936 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -121.2 119.86 33.53 Favored 'General case' 0 N--CA 1.422 -1.831 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 -177.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.0 t -122.6 134.81 54.5 Favored 'General case' 0 C--N 1.283 -2.297 0 C-N-CA 119.813 -0.755 . . . . 0.0 109.687 -178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.5 p -143.64 123.94 9.34 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.571 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.1 m -85.13 149.93 25.2 Favored 'General case' 0 N--CA 1.407 -2.587 0 CA-C-O 122.015 0.912 . . . . 0.0 110.823 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -131.99 85.73 2.27 Favored 'General case' 0 C--N 1.266 -3.058 0 CA-C-N 113.937 -1.483 . . . . 0.0 108.092 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 37.98 73.95 0.09 Allowed 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 127.116 2.167 . . . . 0.0 113.977 176.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.43 -21.14 43.95 Favored Glycine 0 C--N 1.303 -1.294 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.656 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.6 t -104.55 90.45 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.427 -1.619 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 76.1 m . . . . . 0 C--N 1.286 -2.187 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 172.342 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 121.847 0.832 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 16.4 t -147.19 148.14 31.21 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 120.977 -1.077 . . . . 0.0 110.534 -177.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.2 t -111.75 108.0 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.223 0 N-CA-C 108.112 -1.069 . . . . 0.0 108.112 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 63.1 m -110.22 120.11 41.39 Favored 'General case' 0 C--N 1.29 -2.019 0 CA-C-O 121.448 0.642 . . . . 0.0 109.453 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -127.85 108.44 10.72 Favored 'General case' 0 C--N 1.277 -2.551 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.53 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 61.73 33.14 18.09 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 122.544 1.164 . . . . 0.0 110.779 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.19 -23.43 33.4 Favored Glycine 0 N--CA 1.419 -2.447 0 CA-C-N 114.678 -1.147 . . . . 0.0 112.847 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 41.8 t -86.08 108.96 18.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-O 120.874 0.369 . . . . 0.0 110.371 -176.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.431 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 93.6 m -98.71 117.78 33.96 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.702 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -115.73 106.74 14.21 Favored 'General case' 0 N--CA 1.418 -2.068 0 N-CA-C 105.62 -1.993 . . . . 0.0 105.62 174.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 57.0 m -87.42 127.73 35.22 Favored 'General case' 0 N--CA 1.404 -2.757 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.808 -172.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -83.71 92.11 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.693 0 CA-C-O 122.878 1.323 . . . . 0.0 109.262 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 56.6 m -107.3 163.19 13.24 Favored 'General case' 0 N--CA 1.403 -2.783 0 CA-C-N 113.808 -1.542 . . . . 0.0 107.983 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -121.75 104.32 9.51 Favored 'General case' 0 C--N 1.278 -2.501 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 41.59 68.38 0.46 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.37 1.468 . . . . 0.0 112.715 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.89 -20.31 25.32 Favored Glycine 0 C--N 1.307 -1.074 0 C-N-CA 120.853 -0.689 . . . . 0.0 113.983 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.5 t -80.56 83.76 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 CA-C-O 121.933 0.873 . . . . 0.0 109.866 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.3 m . . . . . 0 C--N 1.291 -1.969 0 CA-C-N 113.712 -1.585 . . . . 0.0 109.271 175.5 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 . . . . . 0 C--O 1.236 0.373 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 40.5 m -94.33 127.27 40.1 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.778 -175.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -132.45 130.61 60.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 85.7 m -114.14 128.79 56.54 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 174.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -140.6 114.09 8.7 Favored 'General case' 0 C--N 1.283 -2.295 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.893 -177.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 53.62 44.88 29.15 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 125.084 1.353 . . . . 0.0 111.77 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.59 -20.55 49.11 Favored Glycine 0 N--CA 1.43 -1.713 0 CA-C-N 115.186 -0.915 . . . . 0.0 113.808 177.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 93.3 t -92.86 118.62 38.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 117.224 0.512 . . . . 0.0 110.489 -177.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 90.0 m -107.48 115.6 30.45 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.128 0.49 . . . . 0.0 110.102 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -124.62 124.8 43.0 Favored 'General case' 0 N--CA 1.421 -1.9 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 20.7 t -120.13 114.82 22.52 Favored 'General case' 0 N--CA 1.407 -2.586 0 CA-C-O 122.643 1.211 . . . . 0.0 110.254 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.5 t -96.3 126.05 49.03 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.083 0 CA-C-N 113.558 -1.655 . . . . 0.0 108.575 -177.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 85.1 m -116.31 163.37 16.11 Favored 'General case' 0 N--CA 1.403 -2.801 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 174.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -131.48 159.27 38.58 Favored 'General case' 0 C--N 1.279 -2.496 0 N-CA-C 103.897 -2.631 . . . . 0.0 103.897 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -80.8 65.31 5.9 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 122.864 1.316 . . . . 0.0 109.467 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 164.23 -18.28 0.12 Allowed Glycine 0 C--N 1.278 -2.664 0 CA-C-N 112.551 -2.113 . . . . 0.0 110.681 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.5 t -135.27 95.73 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -178.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 t . . . . . 0 C--N 1.295 -1.766 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 177.282 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 . . . . . 0 CA--C 1.51 -0.588 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.5 t -149.73 148.7 29.56 Favored 'General case' 0 N--CA 1.431 -1.379 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -174.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.2 t -104.75 116.65 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 86.3 m -121.62 132.51 54.71 Favored 'General case' 0 C--N 1.295 -1.8 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.955 177.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -132.93 98.67 4.36 Favored 'General case' 0 C--N 1.29 -2.0 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.488 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 49.65 58.39 5.49 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 125.334 1.454 . . . . 0.0 112.216 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.71 -20.45 38.65 Favored Glycine 0 N--CA 1.42 -2.431 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.958 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 45.2 t -87.14 105.13 14.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 93.3 m -106.84 139.34 41.41 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.487 0.66 . . . . 0.0 111.61 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -132.94 97.54 4.05 Favored 'General case' 0 N--CA 1.419 -1.999 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 174.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.4 m -90.86 135.76 33.51 Favored 'General case' 0 N--CA 1.415 -2.223 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.365 -175.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.5 m -106.29 144.86 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.9 t -119.78 160.9 21.7 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.103 0.477 . . . . 0.0 110.492 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -132.68 78.61 1.81 Allowed 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 36.08 69.93 0.17 Allowed 'General case' 0 C--O 1.246 0.892 0 C-N-CA 125.936 1.694 . . . . 0.0 113.955 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.03 -32.27 7.39 Favored Glycine 0 N--CA 1.434 -1.461 0 CA-C-N 114.614 -1.175 . . . . 0.0 111.827 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.4 t -92.46 80.4 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.8 m . . . . . 0 C--N 1.284 -2.271 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.321 -177.718 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 . . . . . 0 C--O 1.243 0.745 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.1 m -105.13 122.38 45.79 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 174.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 83.1 t -127.11 135.75 62.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.487 -173.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 62.7 m -112.16 136.1 51.98 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -144.09 120.66 11.08 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 47.68 48.03 17.51 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.689 1.196 . . . . 0.0 112.334 177.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.57 8.71 82.65 Favored Glycine 0 N--CA 1.425 -2.057 0 N-CA-C 115.418 0.927 . . . . 0.0 115.418 174.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.9 p -125.68 132.21 71.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 118.44 1.12 . . . . 0.0 109.529 173.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 73.4 m -111.82 122.45 47.83 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -129.19 125.16 36.38 Favored 'General case' 0 N--CA 1.417 -2.105 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.2 t -116.24 132.86 56.55 Favored 'General case' 0 N--CA 1.405 -2.714 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.4 m -107.61 100.6 11.04 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.298 0 CA-C-O 122.238 1.018 . . . . 0.0 110.82 -177.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 79.4 m -121.52 165.96 14.88 Favored 'General case' 0 N--CA 1.406 -2.674 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.015 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -117.58 156.12 28.66 Favored 'General case' 0 C--N 1.283 -2.296 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -80.01 64.14 4.75 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 122.631 1.205 . . . . 0.0 108.408 -177.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.38 -19.63 0.09 OUTLIER Glycine 0 C--N 1.278 -2.662 0 CA-C-N 113.056 -1.884 . . . . 0.0 111.174 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -155.15 111.18 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.825 0 CA-C-O 122.01 0.91 . . . . 0.0 109.594 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.278 -2.529 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -178.515 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.0 m -93.65 137.15 33.21 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 174.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 50.0 t -102.9 118.06 49.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 -176.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 38.5 m -101.86 132.17 47.79 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.239 0.542 . . . . 0.0 109.813 178.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -142.72 119.11 10.9 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 63.7 31.29 14.47 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 122.634 1.207 . . . . 0.0 109.431 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.03 -6.16 80.22 Favored Glycine 0 N--CA 1.427 -1.956 0 CA-C-N 114.71 -1.132 . . . . 0.0 113.471 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 61.3 t -96.55 114.85 34.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 117.369 0.585 . . . . 0.0 109.924 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 68.4 m -97.63 119.61 36.51 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.057 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.8 ttp85 -112.07 121.9 46.25 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 76.3 m -94.62 132.04 39.75 Favored 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.8 t -77.13 99.11 2.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.004 -177.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.1 t -70.36 160.23 32.68 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.635 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -113.03 71.07 0.73 Allowed 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -174.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 39.97 68.53 0.38 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 113.701 -1.591 . . . . 0.0 112.61 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 103.62 -28.92 13.46 Favored Glycine 0 N--CA 1.44 -1.053 0 CA-C-N 115.288 -0.869 . . . . 0.0 112.301 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.1 t -93.01 79.25 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.7 m . . . . . 0 C--N 1.301 -1.524 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.104 -176.923 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 . . . . . 0 CA--C 1.51 -0.569 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 87.9 m -73.06 123.21 23.1 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.2 t -113.53 136.64 49.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -174.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.5 m -115.4 129.82 56.7 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 121.669 0.747 . . . . 0.0 109.958 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -135.71 114.14 11.65 Favored 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 61.23 34.37 18.75 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-O 122.399 1.095 . . . . 0.0 109.611 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.79 -14.27 43.51 Favored Glycine 0 N--CA 1.439 -1.122 0 CA-C-N 115.567 -0.742 . . . . 0.0 113.169 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.3 t -83.92 103.37 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.0 m -91.9 125.55 36.65 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.809 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -129.02 128.41 43.58 Favored 'General case' 0 N--CA 1.42 -1.961 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.662 -177.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.5 m -109.79 125.58 52.87 Favored 'General case' 0 N--CA 1.411 -2.391 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.2 t -82.41 96.84 3.79 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.153 0 N-CA-C 106.455 -1.683 . . . . 0.0 106.455 174.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 57.9 m -95.97 160.96 14.19 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.523 -175.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -101.4 76.97 1.74 Allowed 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 106.146 -1.798 . . . . 0.0 106.146 173.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 39.34 71.55 0.17 Allowed 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 126.051 1.741 . . . . 0.0 112.996 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.42 -22.81 38.28 Favored Glycine 0 C--N 1.303 -1.262 0 C-N-CA 120.179 -1.01 . . . . 0.0 112.474 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.2 t -85.95 85.04 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.103 0 CA-C-O 121.696 0.76 . . . . 0.0 110.916 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.294 -1.835 0 CA-C-N 113.164 -1.835 . . . . 0.0 107.712 169.861 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.46 ' H3 ' ' HD3' ' A' ' 1' ' ' ARG . 1.5 mpp_? . . . . . 0 N--CA 1.443 -0.813 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.4 m -103.85 141.15 36.63 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -130.43 142.69 43.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -178.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 33.5 m -116.16 140.54 49.19 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.719 -0.792 . . . . 0.0 111.303 -177.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -128.89 107.44 9.64 Favored 'General case' 0 N--CA 1.42 -1.957 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.968 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 52.92 53.41 12.12 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 125.007 1.323 . . . . 0.0 111.367 173.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.05 -23.59 25.89 Favored Glycine 0 N--CA 1.434 -1.465 0 CA-C-N 115.648 -0.706 . . . . 0.0 113.823 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.7 t -99.36 113.16 33.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 117.287 0.544 . . . . 0.0 110.194 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.1 m -87.27 138.03 31.83 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 121.031 0.443 . . . . 0.0 111.485 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -130.84 113.02 13.56 Favored 'General case' 0 N--CA 1.421 -1.906 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.669 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.8 m -88.35 113.19 23.69 Favored 'General case' 0 N--CA 1.421 -1.882 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 171.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 p -98.08 134.69 35.52 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.17 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.809 -172.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.8 m -121.01 165.14 15.69 Favored 'General case' 0 N--CA 1.407 -2.624 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -104.7 159.08 16.06 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 103.654 -2.721 . . . . 0.0 103.654 172.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -74.95 63.97 1.26 Allowed 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 122.649 1.214 . . . . 0.0 110.051 -174.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 149.17 -13.23 1.09 Allowed Glycine 0 C--N 1.277 -2.738 0 CA-C-N 113.662 -1.608 . . . . 0.0 112.351 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.5 t -145.4 102.92 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -176.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.8 t . . . . . 0 C--N 1.291 -1.951 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 176.199 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 . . . . . 0 CA--C 1.508 -0.638 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 39.6 m -116.31 143.69 45.22 Favored 'General case' 0 N--CA 1.419 -1.985 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 174.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.9 t -117.99 126.94 75.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 -176.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 45.6 m -98.44 120.32 38.66 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.725 0.774 . . . . 0.0 109.879 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -135.1 127.55 30.52 Favored 'General case' 0 C--N 1.275 -2.633 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.436 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 3.1 tpm_? 60.67 33.58 20.24 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.968 0.907 . . . . 0.0 109.693 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.53 -2.05 59.48 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-N 115.261 -0.881 . . . . 0.0 113.694 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -104.13 126.16 58.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.9 m -105.89 115.03 29.54 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-O 120.665 0.269 . . . . 0.0 110.333 -178.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -109.82 141.61 42.25 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 61.4 m -104.9 123.49 47.83 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-O 120.617 0.246 . . . . 0.0 111.179 -177.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 p -76.89 127.27 37.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 175.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.4 p -96.58 166.21 11.78 Favored 'General case' 0 N--CA 1.411 -2.388 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 -168.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -121.47 162.45 20.47 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 113.527 -1.67 . . . . 0.0 107.535 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -78.64 65.03 3.8 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 124.673 1.189 . . . . 0.0 107.917 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 176.09 -24.15 0.06 OUTLIER Glycine 0 C--N 1.276 -2.755 0 CA-C-N 113.244 -1.798 . . . . 0.0 110.457 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 p -147.67 95.9 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.2 t . . . . . 0 C--N 1.296 -1.737 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.536 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 . . . . . 0 C--O 1.241 0.657 0 CA-C-O 121.762 0.791 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 36.6 m -101.95 128.14 48.49 Favored 'General case' 0 N--CA 1.424 -1.742 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.452 -176.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.1 t -112.4 123.25 67.94 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 -176.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.6 m -112.35 131.45 55.52 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.363 0.601 . . . . 0.0 110.275 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -131.57 107.67 9.01 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.53 178.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 58.25 39.35 25.81 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.07 0.948 . . . . 0.0 110.601 177.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.1 -18.56 57.14 Favored Glycine 0 N--CA 1.425 -2.034 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.501 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.3 t -87.41 105.85 15.6 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 76.6 m -95.52 123.4 39.04 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.654 177.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -121.66 125.65 47.15 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 106.255 -1.758 . . . . 0.0 106.255 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.4 t -146.81 138.42 24.38 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -173.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.39 93.92 2.1 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 CA-C-O 122.359 1.076 . . . . 0.0 109.629 177.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.9 p -106.41 179.18 4.34 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 114.869 -1.059 . . . . 0.0 110.481 -177.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -114.32 152.36 31.54 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 105.504 -2.036 . . . . 0.0 105.504 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -81.44 67.0 7.22 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 123.125 1.441 . . . . 0.0 108.471 -178.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.13 -26.69 0.06 OUTLIER Glycine 0 C--N 1.276 -2.759 0 CA-C-N 111.957 -2.383 . . . . 0.0 109.516 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 p -139.56 87.49 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.291 0 CA-C-O 122.452 1.12 . . . . 0.0 108.86 176.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.3 t . . . . . 0 C--N 1.295 -1.798 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 -179.151 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.9 ttp85 . . . . . 0 C--O 1.24 0.604 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.2 t -125.57 145.31 50.18 Favored 'General case' 0 N--CA 1.426 -1.667 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -138.62 135.34 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.43 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 60.2 m -108.98 129.27 55.44 Favored 'General case' 0 N--CA 1.425 -1.703 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 175.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -140.57 112.46 7.62 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 6' ' ' ARG . 65.1 ttt180 57.92 37.72 26.87 Favored 'General case' 0 CA--C 1.556 1.209 0 CA-C-O 123.213 1.482 . . . . 0.0 110.69 -178.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.39 -15.54 62.72 Favored Glycine 0 N--CA 1.426 -1.989 0 CA-C-N 114.733 -1.121 . . . . 0.0 113.372 178.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 79.8 t -88.46 104.28 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 CA-C-O 120.855 0.359 . . . . 0.0 110.888 -177.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.1 m -94.15 107.98 19.87 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.53 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -108.53 103.04 12.08 Favored 'General case' 0 N--CA 1.409 -2.517 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 m -99.13 113.24 25.36 Favored 'General case' 0 N--CA 1.42 -1.943 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 175.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 p -82.16 140.53 16.31 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.81 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -177.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 61.0 m -92.2 164.38 13.58 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -94.51 90.23 6.12 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 44.17 56.89 4.56 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 126.219 1.808 . . . . 0.0 112.483 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.64 -6.69 82.06 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 114.879 -1.055 . . . . 0.0 113.728 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.3 t -115.78 101.14 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.504 0 CA-C-O 121.803 0.811 . . . . 0.0 110.084 -176.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.0 p . . . . . 0 C--N 1.278 -2.529 0 CA-C-N 114.402 -1.272 . . . . 0.0 108.968 172.213 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 . . . . . 0 C--O 1.238 0.449 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 70.0 m -106.42 129.1 54.46 Favored 'General case' 0 N--CA 1.432 -1.332 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.5 t -98.17 108.05 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.557 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -177.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 52.6 m -92.71 127.76 38.33 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-O 121.334 0.588 . . . . 0.0 109.483 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -140.51 115.62 9.82 Favored 'General case' 0 C--N 1.284 -2.258 0 CA-C-N 114.671 -1.149 . . . . 0.0 109.177 -178.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 51.03 46.62 26.17 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.145 0.978 . . . . 0.0 111.84 177.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.1 -13.34 67.9 Favored Glycine 0 N--CA 1.427 -1.945 0 CA-C-N 115.219 -0.901 . . . . 0.0 115.018 175.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 12.7 p -108.92 128.38 64.8 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.132 0 CA-C-N 118.401 1.1 . . . . 0.0 110.53 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.5 m -102.03 111.41 23.66 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.277 0.561 . . . . 0.0 110.695 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -96.61 106.89 19.24 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.8 m -89.35 134.83 33.9 Favored 'General case' 0 C--N 1.284 -2.254 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.7 t -73.91 95.23 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 177.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.7 p -67.49 168.35 11.06 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 114.024 -1.444 . . . . 0.0 110.589 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -115.32 164.15 14.66 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -174.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -79.16 63.57 3.85 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 122.883 1.325 . . . . 0.0 108.6 -177.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.23 -24.72 0.08 OUTLIER Glycine 0 C--N 1.275 -2.829 0 CA-C-N 112.873 -1.967 . . . . 0.0 110.293 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.8 p -141.02 85.45 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 CA-C-O 122.511 1.148 . . . . 0.0 109.41 177.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.7 t . . . . . 0 C--N 1.289 -2.054 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 178.506 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 . . . . . 0 C--O 1.238 0.457 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.4 m -111.14 131.02 55.43 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 52.7 t -102.69 129.42 54.31 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 -177.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.5 m -116.12 134.59 54.77 Favored 'General case' 0 C--N 1.294 -1.821 0 CA-C-O 121.031 0.443 . . . . 0.0 109.834 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -145.74 129.75 17.41 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.173 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 61.1 27.13 16.97 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.249 1.02 . . . . 0.0 111.573 175.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.01 -6.85 76.59 Favored Glycine 0 N--CA 1.426 -2.026 0 CA-C-N 115.504 -0.771 . . . . 0.0 114.037 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.8 p -111.58 139.97 33.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 117.713 0.757 . . . . 0.0 109.937 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.5 m -112.09 147.84 35.19 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.109 0.48 . . . . 0.0 111.559 -178.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -138.11 128.42 26.09 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 176.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.1 m -101.8 123.37 45.63 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-O 120.67 0.271 . . . . 0.0 110.34 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.2 p -74.0 134.15 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.146 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 175.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.2 t -124.11 175.48 6.97 Favored 'General case' 0 C--N 1.281 -2.385 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.357 -173.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -106.55 98.14 7.85 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 55.25 29.82 13.52 Favored 'General case' 0 CA--C 1.567 1.623 0 CA-C-O 122.784 1.278 . . . . 0.0 111.477 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.82 22.74 78.27 Favored Glycine 0 CA--C 1.526 0.752 0 CA-C-N 114.559 -1.201 . . . . 0.0 113.629 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -138.56 96.9 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-O 122.218 1.009 . . . . 0.0 110.599 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 77.8 m . . . . . 0 C--N 1.296 -1.746 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.567 -179.575 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 . . . . . 0 N--CA 1.447 -0.618 0 CA-C-O 121.592 0.71 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.0 m -93.09 122.44 35.47 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.3 t -104.75 121.72 56.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 -178.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 56.6 m -111.57 130.2 55.82 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 120.962 0.411 . . . . 0.0 110.474 -179.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -145.18 119.05 9.27 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 115.067 -0.969 . . . . 0.0 109.626 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 60.61 38.82 18.44 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 122.229 1.014 . . . . 0.0 110.31 175.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.76 -11.97 67.1 Favored Glycine 0 N--CA 1.435 -1.413 0 CA-C-N 114.918 -1.037 . . . . 0.0 113.311 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.524 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 55.9 t -91.83 102.43 13.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 O-C-N 122.516 -0.402 . . . . 0.0 109.917 -178.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.8 m -94.86 111.25 23.05 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -105.81 113.08 26.41 Favored 'General case' 0 N--CA 1.428 -1.561 0 C-N-CA 119.954 -0.698 . . . . 0.0 110.462 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.2 m -104.75 113.73 27.51 Favored 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 104.023 -2.584 . . . . 0.0 104.023 170.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.34 91.89 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 CA-C-O 122.763 1.268 . . . . 0.0 110.977 -176.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 95.0 m -87.78 161.83 17.35 Favored 'General case' 0 N--CA 1.418 -2.043 0 CA-C-N 114.128 -1.396 . . . . 0.0 110.527 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -133.0 170.43 15.38 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 178.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -74.76 62.07 1.05 Allowed 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 125.283 1.433 . . . . 0.0 110.67 -173.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 152.1 -20.72 0.86 Allowed Glycine 0 C--N 1.278 -2.678 0 CA-C-N 113.582 -1.644 . . . . 0.0 110.451 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.3 t -111.61 84.32 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.685 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -176.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.415 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 7.5 t . . . . . 0 C--N 1.307 -1.276 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 177.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 . . . . . 0 C--O 1.238 0.45 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 21.8 m -112.63 148.98 33.48 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 120.517 -0.473 . . . . 0.0 109.835 -178.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.3 t -126.3 136.56 60.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -175.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.3 m -125.17 132.2 53.08 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 121.161 0.505 . . . . 0.0 110.021 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -145.33 132.61 20.57 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 175.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 61.32 30.54 19.13 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 122.563 1.173 . . . . 0.0 109.408 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.28 -1.68 64.19 Favored Glycine 0 N--CA 1.432 -1.633 0 CA-C-N 115.09 -0.959 . . . . 0.0 113.192 -178.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.3 t -92.68 107.45 19.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.6 m -96.81 129.04 44.3 Favored 'General case' 0 C--N 1.287 -2.143 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.65 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -133.72 138.36 45.76 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 105.51 -2.033 . . . . 0.0 105.51 175.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 6.7 t -101.84 138.76 38.39 Favored 'General case' 0 N--CA 1.401 -2.895 0 C-N-CA 118.25 -1.38 . . . . 0.0 109.521 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.7 t -85.39 92.58 3.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.6 m -78.65 155.2 29.64 Favored 'General case' 0 N--CA 1.426 -1.673 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.967 -177.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -111.15 72.62 0.79 Allowed 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.958 -176.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.2 ttm105 38.84 67.65 0.41 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.94 1.696 . . . . 0.0 112.689 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 103.08 -20.95 41.56 Favored Glycine 0 C--N 1.3 -1.443 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.618 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.3 t -106.61 81.85 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.432 -1.345 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -178.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.295 -1.79 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 177.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 CA--C 1.519 -0.222 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.4 m -118.79 146.28 44.94 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.085 -1.079 . . . . 0.0 108.085 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 9' ' ' CYS . 3.4 p -117.1 127.01 74.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 64.3 m -122.49 134.82 54.56 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 120.96 0.41 . . . . 0.0 110.117 178.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -136.31 109.84 7.98 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 175.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 62.24 32.58 17.13 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 122.163 0.982 . . . . 0.0 110.455 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.0 -12.01 70.63 Favored Glycine 0 N--CA 1.429 -1.79 0 CA-C-N 115.329 -0.851 . . . . 0.0 113.357 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 56.0 t -82.53 105.7 12.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 177.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 80.0 m -107.73 130.8 54.92 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.332 0.587 . . . . 0.0 111.549 -178.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -119.83 125.35 48.33 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 174.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.2 t -131.83 141.39 49.42 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.4 p -92.7 147.5 5.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.0 p -70.77 165.01 23.99 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -112.15 162.66 15.2 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -174.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -79.03 56.23 1.94 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.508 1.147 . . . . 0.0 109.377 -172.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.97 -25.26 0.04 OUTLIER Glycine 0 C--N 1.281 -2.516 0 CA-C-N 113.79 -1.55 . . . . 0.0 110.367 -178.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.6 p -136.67 86.19 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.031 0 CA-C-O 122.555 1.169 . . . . 0.0 109.457 177.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.7 t . . . . . 0 C--N 1.293 -1.888 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -178.963 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 . . . . . 0 CA--C 1.508 -0.668 0 CA-C-O 121.219 0.533 . . . . 0.0 111.692 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 88.8 m -130.35 121.47 26.05 Favored 'General case' 0 N--CA 1.429 -1.513 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 172.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.2 t -100.35 108.74 23.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -177.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.644 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 86.2 m -108.57 119.72 40.33 Favored 'General case' 0 CA--C 1.487 -1.464 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -139.94 111.82 7.46 Favored 'General case' 0 C--N 1.274 -2.695 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.192 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 56.2 42.11 28.52 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 124.565 1.146 . . . . 0.0 110.435 174.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.86 -27.75 18.84 Favored Glycine 0 N--CA 1.42 -2.426 0 CA-C-N 115.387 -0.824 . . . . 0.0 113.31 177.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.644 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 49.0 t -83.43 104.62 12.18 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 O-C-N 122.535 -0.391 . . . . 0.0 110.686 -176.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.4 m -100.88 109.88 21.88 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 174.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -110.27 109.52 20.0 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.871 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.5 m -102.34 146.12 28.51 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.393 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.2 t -93.91 104.02 15.31 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 73.5 m -78.43 150.59 33.03 Favored 'General case' 0 N--CA 1.422 -1.872 0 CA-C-O 121.878 0.846 . . . . 0.0 111.304 -178.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -152.81 164.26 38.17 Favored 'General case' 0 C--N 1.274 -2.676 0 C-N-CA 126.544 1.938 . . . . 0.0 105.98 -174.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -76.64 63.78 2.16 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 122.622 1.201 . . . . 0.0 109.7 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 161.31 -18.51 0.19 Allowed Glycine 0 C--N 1.28 -2.555 0 CA-C-N 113.356 -1.747 . . . . 0.0 111.927 178.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 44.8 t -144.2 107.47 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 -178.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.2 t . . . . . 0 C--N 1.281 -2.383 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 176.623 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 73.5 m . . . . . 0 N--CA 1.426 -1.656 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t -101.94 119.69 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -174.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 62.4 m -109.63 133.66 52.86 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.168 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -130.11 98.76 4.84 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.846 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 58.27 45.58 16.95 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 122.415 1.102 . . . . 0.0 110.529 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.34 -19.0 52.85 Favored Glycine 0 N--CA 1.425 -2.096 0 CA-C-N 115.316 -0.856 . . . . 0.0 113.418 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.7 t -85.81 103.34 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.4 m -99.22 123.65 43.67 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.146 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -131.15 129.5 41.85 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 52.6 m . . . . . 0 C--N 1.285 -2.21 0 CA-C-O 121.655 0.741 . . . . 0.0 111.171 -175.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 84.7 m . . . . . 0 N--CA 1.427 -1.599 0 CA-C-O 121.02 0.438 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.6 t -112.3 122.33 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.282 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 55.6 m -102.75 119.86 39.58 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 177.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -146.76 136.33 22.98 Favored 'General case' 0 C--N 1.274 -2.684 0 CA-C-N 114.168 -1.378 . . . . 0.0 108.525 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.8 ttp-105 63.07 26.97 15.64 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 122.623 1.201 . . . . 0.0 110.1 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.34 0.86 90.21 Favored Glycine 0 N--CA 1.426 -1.969 0 CA-C-N 114.673 -1.148 . . . . 0.0 113.952 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 13.8 p -117.49 141.06 37.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 118.009 0.904 . . . . 0.0 109.652 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 67.1 m -104.44 114.9 29.43 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.214 0.53 . . . . 0.0 110.018 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -107.78 124.28 49.82 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 75.5 m . . . . . 0 N--CA 1.422 -1.873 0 CA-C-O 122.15 0.976 . . . . 0.0 112.282 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.3 m . . . . . 0 N--CA 1.443 -0.784 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.6 t -120.18 121.06 64.79 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 45.3 m -110.86 122.08 46.96 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 121.582 0.706 . . . . 0.0 110.053 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -123.86 115.63 21.63 Favored 'General case' 0 C--N 1.284 -2.273 0 CA-C-N 114.43 -1.259 . . . . 0.0 108.816 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.5 ttt-85 59.09 36.51 24.19 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.17 0.988 . . . . 0.0 110.386 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.17 -14.47 60.69 Favored Glycine 0 N--CA 1.434 -1.488 0 CA-C-N 115.409 -0.814 . . . . 0.0 113.36 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.91 116.13 31.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 81.7 m -100.19 126.73 46.5 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 121.264 0.554 . . . . 0.0 111.645 -178.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -120.1 120.19 35.52 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 105.816 -1.92 . . . . 0.0 105.816 175.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 C--N 1.285 -2.237 0 C-N-CA 119.491 -0.884 . . . . 0.0 112.1 -175.244 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.0 m . . . . . 0 N--CA 1.445 -0.708 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -114.12 125.97 71.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.96 -172.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 53.0 m -106.96 132.75 52.55 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -127.78 105.4 8.42 Favored 'General case' 0 C--N 1.288 -2.072 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.524 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 55.05 47.08 22.81 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-O 122.64 1.209 . . . . 0.0 110.286 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.36 -16.94 54.79 Favored Glycine 0 N--CA 1.433 -1.556 0 CA-C-N 114.532 -1.213 . . . . 0.0 113.894 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 44.9 t -86.27 104.13 13.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 81.6 m -92.62 119.6 32.21 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.237 0.541 . . . . 0.0 110.936 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -121.2 119.86 33.53 Favored 'General case' 0 N--CA 1.422 -1.831 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 -177.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.283 -2.297 0 C-N-CA 119.813 -0.755 . . . . 0.0 109.687 -178.008 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.531 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 16.4 t . . . . . 0 N--CA 1.423 -1.811 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.2 t -111.75 108.0 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.223 0 N-CA-C 108.112 -1.069 . . . . 0.0 108.112 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 63.1 m -110.22 120.11 41.39 Favored 'General case' 0 C--N 1.29 -2.019 0 CA-C-O 121.448 0.642 . . . . 0.0 109.453 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -127.85 108.44 10.72 Favored 'General case' 0 C--N 1.277 -2.551 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.53 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 61.73 33.14 18.09 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 122.544 1.164 . . . . 0.0 110.779 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.19 -23.43 33.4 Favored Glycine 0 N--CA 1.419 -2.447 0 CA-C-N 114.678 -1.147 . . . . 0.0 112.847 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 41.8 t -86.08 108.96 18.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-O 120.874 0.369 . . . . 0.0 110.371 -176.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.437 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 93.6 m -98.71 117.78 33.96 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.702 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 10' ' ' ARG . 42.9 ttp180 -115.73 106.74 14.21 Favored 'General case' 0 N--CA 1.418 -2.068 0 N-CA-C 105.62 -1.993 . . . . 0.0 105.62 174.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.531 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 57.0 m . . . . . 0 N--CA 1.404 -2.757 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.808 -172.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 40.5 m . . . . . 0 C--O 1.236 0.386 0 N-CA-C 110.778 -0.082 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -132.45 130.61 60.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 85.7 m -114.14 128.79 56.54 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 174.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -140.6 114.09 8.7 Favored 'General case' 0 C--N 1.283 -2.295 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.893 -177.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 53.62 44.88 29.15 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 125.084 1.353 . . . . 0.0 111.77 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.59 -20.55 49.11 Favored Glycine 0 N--CA 1.43 -1.713 0 CA-C-N 115.186 -0.915 . . . . 0.0 113.808 177.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 93.3 t -92.86 118.62 38.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 117.224 0.512 . . . . 0.0 110.489 -177.298 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 90.0 m -107.48 115.6 30.45 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.128 0.49 . . . . 0.0 110.102 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -124.62 124.8 43.0 Favored 'General case' 0 N--CA 1.421 -1.9 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 20.7 t . . . . . 0 N--CA 1.407 -2.586 0 CA-C-O 122.643 1.211 . . . . 0.0 110.254 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 42.5 t . . . . . 0 N--CA 1.431 -1.379 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.2 t -104.75 116.65 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.3 m -121.62 132.51 54.71 Favored 'General case' 0 C--N 1.295 -1.8 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.955 177.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -132.93 98.67 4.36 Favored 'General case' 0 C--N 1.29 -2.0 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.488 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 49.65 58.39 5.49 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 125.334 1.454 . . . . 0.0 112.216 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.71 -20.45 38.65 Favored Glycine 0 N--CA 1.42 -2.431 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.958 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.2 t -87.14 105.13 14.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 93.3 m -106.84 139.34 41.41 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.487 0.66 . . . . 0.0 111.61 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -132.94 97.54 4.05 Favored 'General case' 0 N--CA 1.419 -1.999 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 174.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 57.4 m . . . . . 0 N--CA 1.415 -2.223 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.365 -175.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 60.1 m . . . . . 0 N--CA 1.44 -0.967 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 83.1 t -127.11 135.75 62.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.487 -173.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 62.7 m -112.16 136.1 51.98 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 175.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -144.09 120.66 11.08 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 47.68 48.03 17.51 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.689 1.196 . . . . 0.0 112.334 177.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.57 8.71 82.65 Favored Glycine 0 N--CA 1.425 -2.057 0 N-CA-C 115.418 0.927 . . . . 0.0 115.418 174.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.9 p -125.68 132.21 71.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 118.44 1.12 . . . . 0.0 109.529 173.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 73.4 m -111.82 122.45 47.83 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -129.19 125.16 36.38 Favored 'General case' 0 N--CA 1.417 -2.105 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 36.2 t . . . . . 0 N--CA 1.405 -2.714 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.0 m . . . . . 0 N--CA 1.433 -1.287 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 50.0 t -102.9 118.06 49.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 -176.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 38.5 m -101.86 132.17 47.79 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.239 0.542 . . . . 0.0 109.813 178.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -142.72 119.11 10.9 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 63.7 31.29 14.47 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 122.634 1.207 . . . . 0.0 109.431 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.03 -6.16 80.22 Favored Glycine 0 N--CA 1.427 -1.956 0 CA-C-N 114.71 -1.132 . . . . 0.0 113.471 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 61.3 t -96.55 114.85 34.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 117.369 0.585 . . . . 0.0 109.924 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 68.4 m -97.63 119.61 36.51 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.057 -178.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.8 ttp85 -112.07 121.9 46.25 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 76.3 m . . . . . 0 C--N 1.29 -1.994 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -179.28 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 87.9 m . . . . . 0 N--CA 1.446 -0.635 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.2 t -113.53 136.64 49.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -174.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.5 m -115.4 129.82 56.7 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 121.669 0.747 . . . . 0.0 109.958 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -135.71 114.14 11.65 Favored 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 61.23 34.37 18.75 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-O 122.399 1.095 . . . . 0.0 109.611 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.79 -14.27 43.51 Favored Glycine 0 N--CA 1.439 -1.122 0 CA-C-N 115.567 -0.742 . . . . 0.0 113.169 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.3 t -83.92 103.37 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.0 m -91.9 125.55 36.65 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.809 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -129.02 128.41 43.58 Favored 'General case' 0 N--CA 1.42 -1.961 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.662 -177.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.411 -2.391 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 175.361 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 60.4 m . . . . . 0 N--CA 1.447 -0.623 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -130.43 142.69 43.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -178.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 33.5 m -116.16 140.54 49.19 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.719 -0.792 . . . . 0.0 111.303 -177.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -128.89 107.44 9.64 Favored 'General case' 0 N--CA 1.42 -1.957 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.968 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 52.92 53.41 12.12 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 125.007 1.323 . . . . 0.0 111.367 173.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.05 -23.59 25.89 Favored Glycine 0 N--CA 1.434 -1.465 0 CA-C-N 115.648 -0.706 . . . . 0.0 113.823 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.7 t -99.36 113.16 33.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 117.287 0.544 . . . . 0.0 110.194 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 84.1 m -87.27 138.03 31.83 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 121.031 0.443 . . . . 0.0 111.485 178.11 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -130.84 113.02 13.56 Favored 'General case' 0 N--CA 1.421 -1.906 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.669 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 71.8 m . . . . . 0 N--CA 1.421 -1.882 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 171.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 39.6 m . . . . . 0 N--CA 1.419 -1.985 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.9 t -117.99 126.94 75.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 -176.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 45.6 m -98.44 120.32 38.66 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.725 0.774 . . . . 0.0 109.879 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -135.1 127.55 30.52 Favored 'General case' 0 C--N 1.275 -2.633 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.483 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 3.1 tpm_? 60.67 33.58 20.24 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.968 0.907 . . . . 0.0 109.693 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.53 -2.05 59.48 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-N 115.261 -0.881 . . . . 0.0 113.694 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -104.13 126.16 58.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 34.9 m -105.89 115.03 29.54 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-O 120.665 0.269 . . . . 0.0 110.333 -178.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.439 ' HA ' ' HE ' ' A' ' 10' ' ' ARG . 1.0 OUTLIER -109.82 141.61 42.25 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.555 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 61.4 m . . . . . 0 C--N 1.296 -1.747 0 CA-C-O 120.617 0.246 . . . . 0.0 111.179 -177.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 36.6 m . . . . . 0 N--CA 1.424 -1.742 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.1 t -112.4 123.25 67.94 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 -176.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.6 m -112.35 131.45 55.52 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.363 0.601 . . . . 0.0 110.275 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -131.57 107.67 9.01 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.53 178.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 58.25 39.35 25.81 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.07 0.948 . . . . 0.0 110.601 177.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.1 -18.56 57.14 Favored Glycine 0 N--CA 1.425 -2.034 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.501 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.3 t -87.41 105.85 15.6 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 76.6 m -95.52 123.4 39.04 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.654 177.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -121.66 125.65 47.15 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 106.255 -1.758 . . . . 0.0 106.255 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.4 t . . . . . 0 C--N 1.295 -1.764 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -173.135 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 N--CA 1.426 -1.667 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -138.62 135.34 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.43 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 60.2 m -108.98 129.27 55.44 Favored 'General case' 0 N--CA 1.425 -1.703 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 175.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -140.57 112.46 7.62 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 6' ' ' ARG . 65.1 ttt180 57.92 37.72 26.87 Favored 'General case' 0 CA--C 1.556 1.209 0 CA-C-O 123.213 1.482 . . . . 0.0 110.69 -178.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.39 -15.54 62.72 Favored Glycine 0 N--CA 1.426 -1.989 0 CA-C-N 114.733 -1.121 . . . . 0.0 113.372 178.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 79.8 t -88.46 104.28 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 CA-C-O 120.855 0.359 . . . . 0.0 110.888 -177.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 72.1 m -94.15 107.98 19.87 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.53 177.055 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -108.53 103.04 12.08 Favored 'General case' 0 N--CA 1.409 -2.517 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 m . . . . . 0 N--CA 1.42 -1.943 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 175.906 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 70.0 m . . . . . 0 N--CA 1.432 -1.332 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.5 t -98.17 108.05 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.557 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -177.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 52.6 m -92.71 127.76 38.33 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-O 121.334 0.588 . . . . 0.0 109.483 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.411 ' O ' HG12 ' A' ' 8' ' ' VAL . 11.6 ptp180 -140.51 115.62 9.82 Favored 'General case' 0 C--N 1.284 -2.258 0 CA-C-N 114.671 -1.149 . . . . 0.0 109.177 -178.195 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 51.03 46.62 26.17 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.145 0.978 . . . . 0.0 111.84 177.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.1 -13.34 67.9 Favored Glycine 0 N--CA 1.427 -1.945 0 CA-C-N 115.219 -0.901 . . . . 0.0 115.018 175.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 12.7 p -108.92 128.38 64.8 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.132 0 CA-C-N 118.401 1.1 . . . . 0.0 110.53 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 71.5 m -102.03 111.41 23.66 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.277 0.561 . . . . 0.0 110.695 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -96.61 106.89 19.24 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 63.8 m . . . . . 0 C--N 1.284 -2.254 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.4 m . . . . . 0 N--CA 1.437 -1.118 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 52.7 t -102.69 129.42 54.31 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 -177.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.5 m -116.12 134.59 54.77 Favored 'General case' 0 C--N 1.294 -1.821 0 CA-C-O 121.031 0.443 . . . . 0.0 109.834 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -145.74 129.75 17.41 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.173 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 61.1 27.13 16.97 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.249 1.02 . . . . 0.0 111.573 175.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.01 -6.85 76.59 Favored Glycine 0 N--CA 1.426 -2.026 0 CA-C-N 115.504 -0.771 . . . . 0.0 114.037 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.8 p -111.58 139.97 33.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 117.713 0.757 . . . . 0.0 109.937 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.5 m -112.09 147.84 35.19 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.109 0.48 . . . . 0.0 111.559 -178.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -138.11 128.42 26.09 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 176.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.1 m . . . . . 0 C--N 1.292 -1.906 0 CA-C-O 120.67 0.271 . . . . 0.0 110.34 -179.712 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.0 m . . . . . 0 N--CA 1.438 -1.061 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.3 t -104.75 121.72 56.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 -178.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 56.6 m -111.57 130.2 55.82 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 120.962 0.411 . . . . 0.0 110.474 -179.082 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -145.18 119.05 9.27 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 115.067 -0.969 . . . . 0.0 109.626 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 60.61 38.82 18.44 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 122.229 1.014 . . . . 0.0 110.31 175.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.76 -11.97 67.1 Favored Glycine 0 N--CA 1.435 -1.413 0 CA-C-N 114.918 -1.037 . . . . 0.0 113.311 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 55.9 t -91.83 102.43 13.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 O-C-N 122.516 -0.402 . . . . 0.0 109.917 -178.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.8 m -94.86 111.25 23.05 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -105.81 113.08 26.41 Favored 'General case' 0 N--CA 1.428 -1.561 0 C-N-CA 119.954 -0.698 . . . . 0.0 110.462 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.2 m . . . . . 0 C--N 1.286 -2.175 0 N-CA-C 104.023 -2.584 . . . . 0.0 104.023 170.738 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 21.8 m . . . . . 0 N--CA 1.432 -1.337 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.3 t -126.3 136.56 60.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -175.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.3 m -125.17 132.2 53.08 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 121.161 0.505 . . . . 0.0 110.021 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -145.33 132.61 20.57 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 175.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 61.32 30.54 19.13 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 122.563 1.173 . . . . 0.0 109.408 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.28 -1.68 64.19 Favored Glycine 0 N--CA 1.432 -1.633 0 CA-C-N 115.09 -0.959 . . . . 0.0 113.192 -178.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.3 t -92.68 107.45 19.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.6 m -96.81 129.04 44.3 Favored 'General case' 0 C--N 1.287 -2.143 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.65 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -133.72 138.36 45.76 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 105.51 -2.033 . . . . 0.0 105.51 175.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 6.7 t . . . . . 0 N--CA 1.401 -2.895 0 C-N-CA 118.25 -1.38 . . . . 0.0 109.521 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.437 -1.111 0 N-CA-C 108.085 -1.079 . . . . 0.0 108.085 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 9' ' ' CYS . 3.4 p -117.1 127.01 74.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.688 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 64.3 m -122.49 134.82 54.56 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 120.96 0.41 . . . . 0.0 110.117 178.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -136.31 109.84 7.98 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 175.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 62.24 32.58 17.13 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 122.163 0.982 . . . . 0.0 110.455 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.0 -12.01 70.63 Favored Glycine 0 N--CA 1.429 -1.79 0 CA-C-N 115.329 -0.851 . . . . 0.0 113.357 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 56.0 t -82.53 105.7 12.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 177.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 80.0 m -107.73 130.8 54.92 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.332 0.587 . . . . 0.0 111.549 -178.048 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -119.83 125.35 48.33 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 174.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.284 -2.242 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 -179.678 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 88.8 m . . . . . 0 N--CA 1.429 -1.513 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.2 t -100.35 108.74 23.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -177.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.635 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 86.2 m -108.57 119.72 40.33 Favored 'General case' 0 CA--C 1.487 -1.464 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.229 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -139.94 111.82 7.46 Favored 'General case' 0 C--N 1.274 -2.695 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.192 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 56.2 42.11 28.52 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 124.565 1.146 . . . . 0.0 110.435 174.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.86 -27.75 18.84 Favored Glycine 0 N--CA 1.42 -2.426 0 CA-C-N 115.387 -0.824 . . . . 0.0 113.31 177.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.635 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 49.0 t -83.43 104.62 12.18 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 O-C-N 122.535 -0.391 . . . . 0.0 110.686 -176.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.4 m -100.88 109.88 21.88 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 174.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -110.27 109.52 20.0 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.871 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.5 m . . . . . 0 C--N 1.304 -1.406 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.393 176.751 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 1' ' ' ARG . 37.1 ttt180 . . . . . 0 N--CA 1.447 -0.622 0 CA-C-O 121.437 0.637 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 73.5 m -120.65 137.59 54.37 Favored 'General case' 0 N--CA 1.426 -1.656 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 173.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t -101.94 119.69 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -174.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 62.4 m -109.63 133.66 52.86 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.168 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -130.11 98.76 4.84 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.846 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 58.27 45.58 16.95 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 122.415 1.102 . . . . 0.0 110.529 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.34 -19.0 52.85 Favored Glycine 0 N--CA 1.425 -2.096 0 CA-C-N 115.316 -0.856 . . . . 0.0 113.418 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.7 t -85.81 103.34 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.4 m -99.22 123.65 43.67 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.146 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -131.15 129.5 41.85 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 52.6 m -91.86 113.37 25.63 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-O 121.655 0.741 . . . . 0.0 111.171 -175.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.2 t -92.68 92.26 3.7 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 N-CA-C 106.128 -1.804 . . . . 0.0 106.128 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.6 m -89.32 158.9 17.63 Favored 'General case' 0 N--CA 1.415 -2.191 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.065 -175.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -100.18 83.16 2.63 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 39.15 63.17 0.98 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.138 1.775 . . . . 0.0 112.873 -177.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.66 -20.77 44.98 Favored Glycine 0 C--N 1.314 -0.667 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.781 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.2 t -95.36 86.21 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.935 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.0 m . . . . . 0 C--N 1.289 -2.056 0 CA-C-N 114.53 -1.213 . . . . 0.0 110.974 179.574 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 . . . . . 0 CA--C 1.507 -0.701 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 84.7 m -101.07 126.26 47.74 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 121.02 0.438 . . . . 0.0 110.239 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.6 t -112.3 122.33 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.282 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 55.6 m -102.75 119.86 39.58 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 177.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -146.76 136.33 22.98 Favored 'General case' 0 C--N 1.274 -2.684 0 CA-C-N 114.168 -1.378 . . . . 0.0 108.525 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.8 ttp-105 63.07 26.97 15.64 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 122.623 1.201 . . . . 0.0 110.1 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.34 0.86 90.21 Favored Glycine 0 N--CA 1.426 -1.969 0 CA-C-N 114.673 -1.148 . . . . 0.0 113.952 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 13.8 p -117.49 141.06 37.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 118.009 0.904 . . . . 0.0 109.652 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 67.1 m -104.44 114.9 29.43 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.214 0.53 . . . . 0.0 110.018 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -107.78 124.28 49.82 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 75.5 m -95.72 115.0 26.8 Favored 'General case' 0 N--CA 1.422 -1.873 0 CA-C-O 122.15 0.976 . . . . 0.0 112.282 -178.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.5 t -91.73 119.15 38.58 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.192 0 CA-C-N 113.832 -1.531 . . . . 0.0 107.19 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -143.39 161.33 38.66 Favored 'General case' 0 C--N 1.285 -2.196 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -122.71 78.27 1.52 Allowed 'General case' 0 C--N 1.282 -2.354 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.81 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 43.49 51.24 6.22 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 126.136 1.775 . . . . 0.0 112.329 177.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.33 -30.42 6.49 Favored Glycine 0 N--CA 1.426 -1.991 0 CA-C-N 115.131 -0.94 . . . . 0.0 112.304 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 t -86.67 78.19 1.53 Allowed 'Isoleucine or valine' 0 C--O 1.246 0.887 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.0 m . . . . . 0 C--N 1.286 -2.181 0 CA-C-N 114.113 -1.403 . . . . 0.0 109.535 -176.557 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 . . . . . 0 CA--C 1.511 -0.554 0 N-CA-C 111.703 0.261 . . . . 0.0 111.703 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.3 m -107.92 121.9 45.73 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 173.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.6 t -120.18 121.06 64.79 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 45.3 m -110.86 122.08 46.96 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 121.582 0.706 . . . . 0.0 110.053 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -123.86 115.63 21.63 Favored 'General case' 0 C--N 1.284 -2.273 0 CA-C-N 114.43 -1.259 . . . . 0.0 108.816 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.5 ttt-85 59.09 36.51 24.19 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.17 0.988 . . . . 0.0 110.386 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.17 -14.47 60.69 Favored Glycine 0 N--CA 1.434 -1.488 0 CA-C-N 115.409 -0.814 . . . . 0.0 113.36 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.91 116.13 31.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 81.7 m -100.19 126.73 46.5 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 121.264 0.554 . . . . 0.0 111.645 -178.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -120.1 120.19 35.52 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 105.816 -1.92 . . . . 0.0 105.816 175.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.8 t -133.13 145.78 51.0 Favored 'General case' 0 C--N 1.285 -2.237 0 C-N-CA 119.491 -0.884 . . . . 0.0 112.1 -175.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.96 128.07 73.96 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.817 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 170.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.1 t -102.03 166.35 10.67 Favored 'General case' 0 C--N 1.293 -1.886 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.393 -173.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.42 ' HB3' HG13 ' A' ' 17' ' ' VAL . 13.5 tpp180 -130.45 79.04 1.88 Allowed 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -178.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 38.66 60.29 1.39 Allowed 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.854 1.662 . . . . 0.0 112.732 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 108.71 -35.43 4.96 Favored Glycine 0 N--CA 1.436 -1.359 0 C-N-CA 120.241 -0.98 . . . . 0.0 113.421 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.42 HG13 ' HB3' ' A' ' 14' ' ' ARG . 7.2 p -100.57 87.51 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 CA-C-O 123.174 1.464 . . . . 0.0 108.617 -178.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 m . . . . . 0 C--N 1.277 -2.546 0 CA-C-N 113.296 -1.774 . . . . 0.0 109.234 -176.276 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 2' ' ' CYS . 34.2 ttm180 . . . . . 0 C--O 1.242 0.7 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 1' ' ' ARG . 56.0 m -80.66 140.37 35.7 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 170.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -114.12 125.97 71.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.96 -172.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 53.0 m -106.96 132.75 52.55 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -127.78 105.4 8.42 Favored 'General case' 0 C--N 1.288 -2.072 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.524 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 55.05 47.08 22.81 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-O 122.64 1.209 . . . . 0.0 110.286 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.36 -16.94 54.79 Favored Glycine 0 N--CA 1.433 -1.556 0 CA-C-N 114.532 -1.213 . . . . 0.0 113.894 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 44.9 t -86.27 104.13 13.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 81.6 m -92.62 119.6 32.21 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.237 0.541 . . . . 0.0 110.936 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -121.2 119.86 33.53 Favored 'General case' 0 N--CA 1.422 -1.831 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 -177.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.0 t -122.6 134.81 54.5 Favored 'General case' 0 C--N 1.283 -2.297 0 C-N-CA 119.813 -0.755 . . . . 0.0 109.687 -178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.5 p -143.64 123.94 9.34 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.571 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.1 m -85.13 149.93 25.2 Favored 'General case' 0 N--CA 1.407 -2.587 0 CA-C-O 122.015 0.912 . . . . 0.0 110.823 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -131.99 85.73 2.27 Favored 'General case' 0 C--N 1.266 -3.058 0 CA-C-N 113.937 -1.483 . . . . 0.0 108.092 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 37.98 73.95 0.09 Allowed 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 127.116 2.167 . . . . 0.0 113.977 176.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.43 -21.14 43.95 Favored Glycine 0 C--N 1.303 -1.294 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.656 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.6 t -104.55 90.45 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.427 -1.619 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 76.1 m . . . . . 0 C--N 1.286 -2.187 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 172.342 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 121.847 0.832 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.531 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 16.4 t -147.19 148.14 31.21 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 120.977 -1.077 . . . . 0.0 110.534 -177.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.2 t -111.75 108.0 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.223 0 N-CA-C 108.112 -1.069 . . . . 0.0 108.112 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 63.1 m -110.22 120.11 41.39 Favored 'General case' 0 C--N 1.29 -2.019 0 CA-C-O 121.448 0.642 . . . . 0.0 109.453 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -127.85 108.44 10.72 Favored 'General case' 0 C--N 1.277 -2.551 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.53 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 61.73 33.14 18.09 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 122.544 1.164 . . . . 0.0 110.779 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.19 -23.43 33.4 Favored Glycine 0 N--CA 1.419 -2.447 0 CA-C-N 114.678 -1.147 . . . . 0.0 112.847 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 41.8 t -86.08 108.96 18.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-O 120.874 0.369 . . . . 0.0 110.371 -176.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.437 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 93.6 m -98.71 117.78 33.96 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.702 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 10' ' ' ARG . 42.9 ttp180 -115.73 106.74 14.21 Favored 'General case' 0 N--CA 1.418 -2.068 0 N-CA-C 105.62 -1.993 . . . . 0.0 105.62 174.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.531 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 57.0 m -87.42 127.73 35.22 Favored 'General case' 0 N--CA 1.404 -2.757 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.808 -172.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -83.71 92.11 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.693 0 CA-C-O 122.878 1.323 . . . . 0.0 109.262 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 56.6 m -107.3 163.19 13.24 Favored 'General case' 0 N--CA 1.403 -2.783 0 CA-C-N 113.808 -1.542 . . . . 0.0 107.983 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -121.75 104.32 9.51 Favored 'General case' 0 C--N 1.278 -2.501 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 41.59 68.38 0.46 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.37 1.468 . . . . 0.0 112.715 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.89 -20.31 25.32 Favored Glycine 0 C--N 1.307 -1.074 0 C-N-CA 120.853 -0.689 . . . . 0.0 113.983 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.5 t -80.56 83.76 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 CA-C-O 121.933 0.873 . . . . 0.0 109.866 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.3 m . . . . . 0 C--N 1.291 -1.969 0 CA-C-N 113.712 -1.585 . . . . 0.0 109.271 175.5 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 . . . . . 0 C--O 1.236 0.373 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 40.5 m -94.33 127.27 40.1 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.778 -175.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -132.45 130.61 60.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 85.7 m -114.14 128.79 56.54 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 174.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -140.6 114.09 8.7 Favored 'General case' 0 C--N 1.283 -2.295 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.893 -177.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 53.62 44.88 29.15 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 125.084 1.353 . . . . 0.0 111.77 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.59 -20.55 49.11 Favored Glycine 0 N--CA 1.43 -1.713 0 CA-C-N 115.186 -0.915 . . . . 0.0 113.808 177.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 93.3 t -92.86 118.62 38.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 117.224 0.512 . . . . 0.0 110.489 -177.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 90.0 m -107.48 115.6 30.45 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.128 0.49 . . . . 0.0 110.102 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -124.62 124.8 43.0 Favored 'General case' 0 N--CA 1.421 -1.9 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 20.7 t -120.13 114.82 22.52 Favored 'General case' 0 N--CA 1.407 -2.586 0 CA-C-O 122.643 1.211 . . . . 0.0 110.254 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.5 t -96.3 126.05 49.03 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.083 0 CA-C-N 113.558 -1.655 . . . . 0.0 108.575 -177.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 85.1 m -116.31 163.37 16.11 Favored 'General case' 0 N--CA 1.403 -2.801 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 174.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -131.48 159.27 38.58 Favored 'General case' 0 C--N 1.279 -2.496 0 N-CA-C 103.897 -2.631 . . . . 0.0 103.897 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -80.8 65.31 5.9 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 122.864 1.316 . . . . 0.0 109.467 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 164.23 -18.28 0.12 Allowed Glycine 0 C--N 1.278 -2.664 0 CA-C-N 112.551 -2.113 . . . . 0.0 110.681 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.5 t -135.27 95.73 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -178.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 t . . . . . 0 C--N 1.295 -1.766 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 177.282 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 . . . . . 0 CA--C 1.51 -0.588 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 42.5 t -149.73 148.7 29.56 Favored 'General case' 0 N--CA 1.431 -1.379 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -174.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.2 t -104.75 116.65 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.3 m -121.62 132.51 54.71 Favored 'General case' 0 C--N 1.295 -1.8 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.955 177.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -132.93 98.67 4.36 Favored 'General case' 0 C--N 1.29 -2.0 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.488 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 49.65 58.39 5.49 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 125.334 1.454 . . . . 0.0 112.216 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.71 -20.45 38.65 Favored Glycine 0 N--CA 1.42 -2.431 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.958 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.2 t -87.14 105.13 14.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 93.3 m -106.84 139.34 41.41 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.487 0.66 . . . . 0.0 111.61 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -132.94 97.54 4.05 Favored 'General case' 0 N--CA 1.419 -1.999 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 174.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 57.4 m -90.86 135.76 33.51 Favored 'General case' 0 N--CA 1.415 -2.223 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.365 -175.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.5 m -106.29 144.86 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.9 t -119.78 160.9 21.7 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.103 0.477 . . . . 0.0 110.492 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -132.68 78.61 1.81 Allowed 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 36.08 69.93 0.17 Allowed 'General case' 0 C--O 1.246 0.892 0 C-N-CA 125.936 1.694 . . . . 0.0 113.955 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.03 -32.27 7.39 Favored Glycine 0 N--CA 1.434 -1.461 0 CA-C-N 114.614 -1.175 . . . . 0.0 111.827 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.4 t -92.46 80.4 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.8 m . . . . . 0 C--N 1.284 -2.271 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.321 -177.718 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 . . . . . 0 C--O 1.243 0.745 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 60.1 m -105.13 122.38 45.79 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 174.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 83.1 t -127.11 135.75 62.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.487 -173.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 62.7 m -112.16 136.1 51.98 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 175.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -144.09 120.66 11.08 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 47.68 48.03 17.51 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.689 1.196 . . . . 0.0 112.334 177.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.57 8.71 82.65 Favored Glycine 0 N--CA 1.425 -2.057 0 N-CA-C 115.418 0.927 . . . . 0.0 115.418 174.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.9 p -125.68 132.21 71.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 118.44 1.12 . . . . 0.0 109.529 173.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 73.4 m -111.82 122.45 47.83 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -129.19 125.16 36.38 Favored 'General case' 0 N--CA 1.417 -2.105 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 36.2 t -116.24 132.86 56.55 Favored 'General case' 0 N--CA 1.405 -2.714 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.102 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.4 m -107.61 100.6 11.04 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.298 0 CA-C-O 122.238 1.018 . . . . 0.0 110.82 -177.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 79.4 m -121.52 165.96 14.88 Favored 'General case' 0 N--CA 1.406 -2.674 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.015 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -117.58 156.12 28.66 Favored 'General case' 0 C--N 1.283 -2.296 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -80.01 64.14 4.75 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 122.631 1.205 . . . . 0.0 108.408 -177.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.38 -19.63 0.09 OUTLIER Glycine 0 C--N 1.278 -2.662 0 CA-C-N 113.056 -1.884 . . . . 0.0 111.174 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -155.15 111.18 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.825 0 CA-C-O 122.01 0.91 . . . . 0.0 109.594 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.278 -2.529 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -178.515 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.0 m -93.65 137.15 33.21 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 174.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 50.0 t -102.9 118.06 49.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 -176.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 38.5 m -101.86 132.17 47.79 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.239 0.542 . . . . 0.0 109.813 178.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -142.72 119.11 10.9 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 63.7 31.29 14.47 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 122.634 1.207 . . . . 0.0 109.431 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.03 -6.16 80.22 Favored Glycine 0 N--CA 1.427 -1.956 0 CA-C-N 114.71 -1.132 . . . . 0.0 113.471 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 61.3 t -96.55 114.85 34.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 117.369 0.585 . . . . 0.0 109.924 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 68.4 m -97.63 119.61 36.51 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.057 -178.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.8 ttp85 -112.07 121.9 46.25 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 76.3 m -94.62 132.04 39.75 Favored 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.8 t -77.13 99.11 2.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.004 -177.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.1 t -70.36 160.23 32.68 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.635 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -113.03 71.07 0.73 Allowed 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -174.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 39.97 68.53 0.38 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 113.701 -1.591 . . . . 0.0 112.61 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 103.62 -28.92 13.46 Favored Glycine 0 N--CA 1.44 -1.053 0 CA-C-N 115.288 -0.869 . . . . 0.0 112.301 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.1 t -93.01 79.25 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.7 m . . . . . 0 C--N 1.301 -1.524 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.104 -176.923 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 . . . . . 0 CA--C 1.51 -0.569 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 87.9 m -73.06 123.21 23.1 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.2 t -113.53 136.64 49.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -174.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.5 m -115.4 129.82 56.7 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 121.669 0.747 . . . . 0.0 109.958 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -135.71 114.14 11.65 Favored 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 61.23 34.37 18.75 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-O 122.399 1.095 . . . . 0.0 109.611 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.79 -14.27 43.51 Favored Glycine 0 N--CA 1.439 -1.122 0 CA-C-N 115.567 -0.742 . . . . 0.0 113.169 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.3 t -83.92 103.37 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.0 m -91.9 125.55 36.65 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.809 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -129.02 128.41 43.58 Favored 'General case' 0 N--CA 1.42 -1.961 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.662 -177.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.5 m -109.79 125.58 52.87 Favored 'General case' 0 N--CA 1.411 -2.391 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.2 t -82.41 96.84 3.79 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.153 0 N-CA-C 106.455 -1.683 . . . . 0.0 106.455 174.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 57.9 m -95.97 160.96 14.19 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.523 -175.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -101.4 76.97 1.74 Allowed 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 106.146 -1.798 . . . . 0.0 106.146 173.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 39.34 71.55 0.17 Allowed 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 126.051 1.741 . . . . 0.0 112.996 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.42 -22.81 38.28 Favored Glycine 0 C--N 1.303 -1.262 0 C-N-CA 120.179 -1.01 . . . . 0.0 112.474 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.2 t -85.95 85.04 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.103 0 CA-C-O 121.696 0.76 . . . . 0.0 110.916 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.294 -1.835 0 CA-C-N 113.164 -1.835 . . . . 0.0 107.712 169.861 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? . . . . . 0 N--CA 1.443 -0.813 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 60.4 m -103.85 141.15 36.63 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.024 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -130.43 142.69 43.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -178.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 33.5 m -116.16 140.54 49.19 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.719 -0.792 . . . . 0.0 111.303 -177.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -128.89 107.44 9.64 Favored 'General case' 0 N--CA 1.42 -1.957 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.968 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 52.92 53.41 12.12 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 125.007 1.323 . . . . 0.0 111.367 173.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.05 -23.59 25.89 Favored Glycine 0 N--CA 1.434 -1.465 0 CA-C-N 115.648 -0.706 . . . . 0.0 113.823 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.7 t -99.36 113.16 33.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 117.287 0.544 . . . . 0.0 110.194 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 84.1 m -87.27 138.03 31.83 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 121.031 0.443 . . . . 0.0 111.485 178.11 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -130.84 113.02 13.56 Favored 'General case' 0 N--CA 1.421 -1.906 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.669 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 71.8 m -88.35 113.19 23.69 Favored 'General case' 0 N--CA 1.421 -1.882 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 171.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 p -98.08 134.69 35.52 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.17 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.809 -172.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.8 m -121.01 165.14 15.69 Favored 'General case' 0 N--CA 1.407 -2.624 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -104.7 159.08 16.06 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 103.654 -2.721 . . . . 0.0 103.654 172.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -74.95 63.97 1.26 Allowed 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 122.649 1.214 . . . . 0.0 110.051 -174.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 149.17 -13.23 1.09 Allowed Glycine 0 C--N 1.277 -2.738 0 CA-C-N 113.662 -1.608 . . . . 0.0 112.351 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.5 t -145.4 102.92 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -176.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.8 t . . . . . 0 C--N 1.291 -1.951 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 176.199 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 . . . . . 0 CA--C 1.508 -0.638 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 39.6 m -116.31 143.69 45.22 Favored 'General case' 0 N--CA 1.419 -1.985 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 174.314 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.9 t -117.99 126.94 75.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 -176.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 45.6 m -98.44 120.32 38.66 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.725 0.774 . . . . 0.0 109.879 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -135.1 127.55 30.52 Favored 'General case' 0 C--N 1.275 -2.633 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.483 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 3.1 tpm_? 60.67 33.58 20.24 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.968 0.907 . . . . 0.0 109.693 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.53 -2.05 59.48 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-N 115.261 -0.881 . . . . 0.0 113.694 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -104.13 126.16 58.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 34.9 m -105.89 115.03 29.54 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-O 120.665 0.269 . . . . 0.0 110.333 -178.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.439 ' HA ' ' HE ' ' A' ' 10' ' ' ARG . 1.0 OUTLIER -109.82 141.61 42.25 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.555 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 61.4 m -104.9 123.49 47.83 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-O 120.617 0.246 . . . . 0.0 111.179 -177.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 p -76.89 127.27 37.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 175.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.45 ' HB2' ' HA ' ' A' ' 18' ' ' CYS . 30.4 p -96.58 166.21 11.78 Favored 'General case' 0 N--CA 1.411 -2.388 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 -168.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -121.47 162.45 20.47 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 113.527 -1.67 . . . . 0.0 107.535 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -78.64 65.03 3.8 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 124.673 1.189 . . . . 0.0 107.917 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 176.09 -24.15 0.06 OUTLIER Glycine 0 C--N 1.276 -2.755 0 CA-C-N 113.244 -1.798 . . . . 0.0 110.457 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 5.4 p -147.67 95.9 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.45 ' HA ' ' HB2' ' A' ' 13' ' ' CYS . 32.2 t . . . . . 0 C--N 1.296 -1.737 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 . . . . . 0 C--O 1.241 0.657 0 CA-C-O 121.762 0.791 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 36.6 m -101.95 128.14 48.49 Favored 'General case' 0 N--CA 1.424 -1.742 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.452 -176.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.1 t -112.4 123.25 67.94 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 -176.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.6 m -112.35 131.45 55.52 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.363 0.601 . . . . 0.0 110.275 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -131.57 107.67 9.01 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.53 178.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 58.25 39.35 25.81 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.07 0.948 . . . . 0.0 110.601 177.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.1 -18.56 57.14 Favored Glycine 0 N--CA 1.425 -2.034 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.501 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.3 t -87.41 105.85 15.6 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 76.6 m -95.52 123.4 39.04 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.654 177.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -121.66 125.65 47.15 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 106.255 -1.758 . . . . 0.0 106.255 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.4 t -146.81 138.42 24.38 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -173.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.39 93.92 2.1 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 CA-C-O 122.359 1.076 . . . . 0.0 109.629 177.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.9 p -106.41 179.18 4.34 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 114.869 -1.059 . . . . 0.0 110.481 -177.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -114.32 152.36 31.54 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 105.504 -2.036 . . . . 0.0 105.504 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -81.44 67.0 7.22 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 123.125 1.441 . . . . 0.0 108.471 -178.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.13 -26.69 0.06 OUTLIER Glycine 0 C--N 1.276 -2.759 0 CA-C-N 111.957 -2.383 . . . . 0.0 109.516 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 p -139.56 87.49 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.291 0 CA-C-O 122.452 1.12 . . . . 0.0 108.86 176.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.3 t . . . . . 0 C--N 1.295 -1.798 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 -179.151 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.9 ttp85 . . . . . 0 C--O 1.24 0.604 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.2 t -125.57 145.31 50.18 Favored 'General case' 0 N--CA 1.426 -1.667 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -138.62 135.34 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.43 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 60.2 m -108.98 129.27 55.44 Favored 'General case' 0 N--CA 1.425 -1.703 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 175.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -140.57 112.46 7.62 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 6' ' ' ARG . 65.1 ttt180 57.92 37.72 26.87 Favored 'General case' 0 CA--C 1.556 1.209 0 CA-C-O 123.213 1.482 . . . . 0.0 110.69 -178.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.39 -15.54 62.72 Favored Glycine 0 N--CA 1.426 -1.989 0 CA-C-N 114.733 -1.121 . . . . 0.0 113.372 178.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 79.8 t -88.46 104.28 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 CA-C-O 120.855 0.359 . . . . 0.0 110.888 -177.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 72.1 m -94.15 107.98 19.87 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.53 177.055 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -108.53 103.04 12.08 Favored 'General case' 0 N--CA 1.409 -2.517 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 m -99.13 113.24 25.36 Favored 'General case' 0 N--CA 1.42 -1.943 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 175.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 p -82.16 140.53 16.31 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.81 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -177.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 61.0 m -92.2 164.38 13.58 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -94.51 90.23 6.12 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 44.17 56.89 4.56 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 126.219 1.808 . . . . 0.0 112.483 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.64 -6.69 82.06 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 114.879 -1.055 . . . . 0.0 113.728 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.3 t -115.78 101.14 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.504 0 CA-C-O 121.803 0.811 . . . . 0.0 110.084 -176.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.0 p . . . . . 0 C--N 1.278 -2.529 0 CA-C-N 114.402 -1.272 . . . . 0.0 108.968 172.213 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 . . . . . 0 C--O 1.238 0.449 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 70.0 m -106.42 129.1 54.46 Favored 'General case' 0 N--CA 1.432 -1.332 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 177.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.5 t -98.17 108.05 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.557 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -177.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 52.6 m -92.71 127.76 38.33 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-O 121.334 0.588 . . . . 0.0 109.483 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.411 ' O ' HG12 ' A' ' 8' ' ' VAL . 11.6 ptp180 -140.51 115.62 9.82 Favored 'General case' 0 C--N 1.284 -2.258 0 CA-C-N 114.671 -1.149 . . . . 0.0 109.177 -178.195 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 51.03 46.62 26.17 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.145 0.978 . . . . 0.0 111.84 177.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.1 -13.34 67.9 Favored Glycine 0 N--CA 1.427 -1.945 0 CA-C-N 115.219 -0.901 . . . . 0.0 115.018 175.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 12.7 p -108.92 128.38 64.8 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.132 0 CA-C-N 118.401 1.1 . . . . 0.0 110.53 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 71.5 m -102.03 111.41 23.66 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.277 0.561 . . . . 0.0 110.695 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -96.61 106.89 19.24 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 63.8 m -89.35 134.83 33.9 Favored 'General case' 0 C--N 1.284 -2.254 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.054 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.7 t -73.91 95.23 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 177.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.7 p -67.49 168.35 11.06 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 114.024 -1.444 . . . . 0.0 110.589 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -115.32 164.15 14.66 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -174.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -79.16 63.57 3.85 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 122.883 1.325 . . . . 0.0 108.6 -177.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.23 -24.72 0.08 OUTLIER Glycine 0 C--N 1.275 -2.829 0 CA-C-N 112.873 -1.967 . . . . 0.0 110.293 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.8 p -141.02 85.45 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 CA-C-O 122.511 1.148 . . . . 0.0 109.41 177.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.7 t . . . . . 0 C--N 1.289 -2.054 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 178.506 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 . . . . . 0 C--O 1.238 0.457 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.4 m -111.14 131.02 55.43 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 52.7 t -102.69 129.42 54.31 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 -177.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.5 m -116.12 134.59 54.77 Favored 'General case' 0 C--N 1.294 -1.821 0 CA-C-O 121.031 0.443 . . . . 0.0 109.834 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -145.74 129.75 17.41 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.173 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 61.1 27.13 16.97 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.249 1.02 . . . . 0.0 111.573 175.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.01 -6.85 76.59 Favored Glycine 0 N--CA 1.426 -2.026 0 CA-C-N 115.504 -0.771 . . . . 0.0 114.037 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.8 p -111.58 139.97 33.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 117.713 0.757 . . . . 0.0 109.937 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.5 m -112.09 147.84 35.19 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.109 0.48 . . . . 0.0 111.559 -178.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -138.11 128.42 26.09 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 176.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.1 m -101.8 123.37 45.63 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-O 120.67 0.271 . . . . 0.0 110.34 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.2 p -74.0 134.15 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.146 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 175.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.2 t -124.11 175.48 6.97 Favored 'General case' 0 C--N 1.281 -2.385 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.357 -173.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -106.55 98.14 7.85 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 55.25 29.82 13.52 Favored 'General case' 0 CA--C 1.567 1.623 0 CA-C-O 122.784 1.278 . . . . 0.0 111.477 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.82 22.74 78.27 Favored Glycine 0 CA--C 1.526 0.752 0 CA-C-N 114.559 -1.201 . . . . 0.0 113.629 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -138.56 96.9 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-O 122.218 1.009 . . . . 0.0 110.599 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 77.8 m . . . . . 0 C--N 1.296 -1.746 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.567 -179.575 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 . . . . . 0 N--CA 1.447 -0.618 0 CA-C-O 121.592 0.71 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.0 m -93.09 122.44 35.47 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.3 t -104.75 121.72 56.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 -178.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 56.6 m -111.57 130.2 55.82 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 120.962 0.411 . . . . 0.0 110.474 -179.082 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -145.18 119.05 9.27 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 115.067 -0.969 . . . . 0.0 109.626 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 60.61 38.82 18.44 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 122.229 1.014 . . . . 0.0 110.31 175.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.76 -11.97 67.1 Favored Glycine 0 N--CA 1.435 -1.413 0 CA-C-N 114.918 -1.037 . . . . 0.0 113.311 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 55.9 t -91.83 102.43 13.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 O-C-N 122.516 -0.402 . . . . 0.0 109.917 -178.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.8 m -94.86 111.25 23.05 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -105.81 113.08 26.41 Favored 'General case' 0 N--CA 1.428 -1.561 0 C-N-CA 119.954 -0.698 . . . . 0.0 110.462 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.2 m -104.75 113.73 27.51 Favored 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 104.023 -2.584 . . . . 0.0 104.023 170.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.34 91.89 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 CA-C-O 122.763 1.268 . . . . 0.0 110.977 -176.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.44 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 95.0 m -87.78 161.83 17.35 Favored 'General case' 0 N--CA 1.418 -2.043 0 CA-C-N 114.128 -1.396 . . . . 0.0 110.527 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -133.0 170.43 15.38 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 178.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -74.76 62.07 1.05 Allowed 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 125.283 1.433 . . . . 0.0 110.67 -173.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 152.1 -20.72 0.86 Allowed Glycine 0 C--N 1.278 -2.678 0 CA-C-N 113.582 -1.644 . . . . 0.0 110.451 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.3 t -111.61 84.32 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.685 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -176.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.44 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 7.5 t . . . . . 0 C--N 1.307 -1.276 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 177.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 . . . . . 0 C--O 1.238 0.45 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 21.8 m -112.63 148.98 33.48 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 120.517 -0.473 . . . . 0.0 109.835 -178.181 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.3 t -126.3 136.56 60.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -175.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.3 m -125.17 132.2 53.08 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 121.161 0.505 . . . . 0.0 110.021 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -145.33 132.61 20.57 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 175.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 61.32 30.54 19.13 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 122.563 1.173 . . . . 0.0 109.408 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.28 -1.68 64.19 Favored Glycine 0 N--CA 1.432 -1.633 0 CA-C-N 115.09 -0.959 . . . . 0.0 113.192 -178.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.3 t -92.68 107.45 19.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.6 m -96.81 129.04 44.3 Favored 'General case' 0 C--N 1.287 -2.143 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.65 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -133.72 138.36 45.76 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 105.51 -2.033 . . . . 0.0 105.51 175.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 6.7 t -101.84 138.76 38.39 Favored 'General case' 0 N--CA 1.401 -2.895 0 C-N-CA 118.25 -1.38 . . . . 0.0 109.521 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.7 t -85.39 92.58 3.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.435 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 27.6 m -78.65 155.2 29.64 Favored 'General case' 0 N--CA 1.426 -1.673 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.967 -177.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -111.15 72.62 0.79 Allowed 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.958 -176.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.2 ttm105 38.84 67.65 0.41 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.94 1.696 . . . . 0.0 112.689 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 103.08 -20.95 41.56 Favored Glycine 0 C--N 1.3 -1.443 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.618 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.3 t -106.61 81.85 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.432 -1.345 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -178.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.435 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 7.0 t . . . . . 0 C--N 1.295 -1.79 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 177.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 CA--C 1.519 -0.222 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.4 m -118.79 146.28 44.94 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.085 -1.079 . . . . 0.0 108.085 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 9' ' ' CYS . 3.4 p -117.1 127.01 74.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 64.3 m -122.49 134.82 54.56 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 120.96 0.41 . . . . 0.0 110.117 178.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -136.31 109.84 7.98 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 175.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 62.24 32.58 17.13 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 122.163 0.982 . . . . 0.0 110.455 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.0 -12.01 70.63 Favored Glycine 0 N--CA 1.429 -1.79 0 CA-C-N 115.329 -0.851 . . . . 0.0 113.357 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 56.0 t -82.53 105.7 12.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 177.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 80.0 m -107.73 130.8 54.92 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.332 0.587 . . . . 0.0 111.549 -178.048 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -119.83 125.35 48.33 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 174.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.2 t -131.83 141.39 49.42 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.4 p -92.7 147.5 5.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.0 p -70.77 165.01 23.99 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -112.15 162.66 15.2 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -174.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -79.03 56.23 1.94 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.508 1.147 . . . . 0.0 109.377 -172.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.97 -25.26 0.04 OUTLIER Glycine 0 C--N 1.281 -2.516 0 CA-C-N 113.79 -1.55 . . . . 0.0 110.367 -178.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.6 p -136.67 86.19 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.031 0 CA-C-O 122.555 1.169 . . . . 0.0 109.457 177.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.7 t . . . . . 0 C--N 1.293 -1.888 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -178.963 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 . . . . . 0 CA--C 1.508 -0.668 0 CA-C-O 121.219 0.533 . . . . 0.0 111.692 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 88.8 m -130.35 121.47 26.05 Favored 'General case' 0 N--CA 1.429 -1.513 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 172.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.2 t -100.35 108.74 23.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -177.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.635 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 86.2 m -108.57 119.72 40.33 Favored 'General case' 0 CA--C 1.487 -1.464 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -139.94 111.82 7.46 Favored 'General case' 0 C--N 1.274 -2.695 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.192 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 56.2 42.11 28.52 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 124.565 1.146 . . . . 0.0 110.435 174.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.86 -27.75 18.84 Favored Glycine 0 N--CA 1.42 -2.426 0 CA-C-N 115.387 -0.824 . . . . 0.0 113.31 177.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.635 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 49.0 t -83.43 104.62 12.18 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 O-C-N 122.535 -0.391 . . . . 0.0 110.686 -176.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.4 m -100.88 109.88 21.88 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 174.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -110.27 109.52 20.0 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.871 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.5 m -102.34 146.12 28.51 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.393 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.2 t -93.91 104.02 15.31 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 73.5 m -78.43 150.59 33.03 Favored 'General case' 0 N--CA 1.422 -1.872 0 CA-C-O 121.878 0.846 . . . . 0.0 111.304 -178.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -152.81 164.26 38.17 Favored 'General case' 0 C--N 1.274 -2.676 0 C-N-CA 126.544 1.938 . . . . 0.0 105.98 -174.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -76.64 63.78 2.16 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 122.622 1.201 . . . . 0.0 109.7 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 161.31 -18.51 0.19 Allowed Glycine 0 C--N 1.28 -2.555 0 CA-C-N 113.356 -1.747 . . . . 0.0 111.927 178.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 44.8 t -144.2 107.47 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 -178.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.2 t . . . . . 0 C--N 1.281 -2.383 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 176.623 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 73.5 m . . . . . 0 N--CA 1.426 -1.656 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t -101.94 119.69 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -174.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 62.4 m -109.63 133.66 52.86 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.168 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -130.11 98.76 4.84 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.846 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 58.27 45.58 16.95 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 122.415 1.102 . . . . 0.0 110.529 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.34 -19.0 52.85 Favored Glycine 0 N--CA 1.425 -2.096 0 CA-C-N 115.316 -0.856 . . . . 0.0 113.418 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.7 t -85.81 103.34 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.4 m -99.22 123.65 43.67 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.146 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -131.15 129.5 41.85 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 52.6 m . . . . . 0 C--N 1.285 -2.21 0 CA-C-O 121.655 0.741 . . . . 0.0 111.171 -175.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 84.7 m . . . . . 0 N--CA 1.427 -1.599 0 CA-C-O 121.02 0.438 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.6 t -112.3 122.33 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.282 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 55.6 m -102.75 119.86 39.58 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 177.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -146.76 136.33 22.98 Favored 'General case' 0 C--N 1.274 -2.684 0 CA-C-N 114.168 -1.378 . . . . 0.0 108.525 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.8 ttp-105 63.07 26.97 15.64 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 122.623 1.201 . . . . 0.0 110.1 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.34 0.86 90.21 Favored Glycine 0 N--CA 1.426 -1.969 0 CA-C-N 114.673 -1.148 . . . . 0.0 113.952 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 13.8 p -117.49 141.06 37.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 118.009 0.904 . . . . 0.0 109.652 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 67.1 m -104.44 114.9 29.43 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.214 0.53 . . . . 0.0 110.018 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -107.78 124.28 49.82 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 75.5 m . . . . . 0 N--CA 1.422 -1.873 0 CA-C-O 122.15 0.976 . . . . 0.0 112.282 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.3 m . . . . . 0 N--CA 1.443 -0.784 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.6 t -120.18 121.06 64.79 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 45.3 m -110.86 122.08 46.96 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 121.582 0.706 . . . . 0.0 110.053 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -123.86 115.63 21.63 Favored 'General case' 0 C--N 1.284 -2.273 0 CA-C-N 114.43 -1.259 . . . . 0.0 108.816 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.5 ttt-85 59.09 36.51 24.19 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.17 0.988 . . . . 0.0 110.386 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.17 -14.47 60.69 Favored Glycine 0 N--CA 1.434 -1.488 0 CA-C-N 115.409 -0.814 . . . . 0.0 113.36 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.91 116.13 31.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 81.7 m -100.19 126.73 46.5 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 121.264 0.554 . . . . 0.0 111.645 -178.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -120.1 120.19 35.52 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 105.816 -1.92 . . . . 0.0 105.816 175.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 C--N 1.285 -2.237 0 C-N-CA 119.491 -0.884 . . . . 0.0 112.1 -175.244 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.0 m . . . . . 0 N--CA 1.445 -0.708 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -114.12 125.97 71.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.96 -172.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 53.0 m -106.96 132.75 52.55 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -127.78 105.4 8.42 Favored 'General case' 0 C--N 1.288 -2.072 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.524 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 55.05 47.08 22.81 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-O 122.64 1.209 . . . . 0.0 110.286 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.36 -16.94 54.79 Favored Glycine 0 N--CA 1.433 -1.556 0 CA-C-N 114.532 -1.213 . . . . 0.0 113.894 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 44.9 t -86.27 104.13 13.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 81.6 m -92.62 119.6 32.21 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.237 0.541 . . . . 0.0 110.936 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -121.2 119.86 33.53 Favored 'General case' 0 N--CA 1.422 -1.831 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 -177.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.283 -2.297 0 C-N-CA 119.813 -0.755 . . . . 0.0 109.687 -178.008 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.531 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 16.4 t . . . . . 0 N--CA 1.423 -1.811 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.2 t -111.75 108.0 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.223 0 N-CA-C 108.112 -1.069 . . . . 0.0 108.112 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 63.1 m -110.22 120.11 41.39 Favored 'General case' 0 C--N 1.29 -2.019 0 CA-C-O 121.448 0.642 . . . . 0.0 109.453 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -127.85 108.44 10.72 Favored 'General case' 0 C--N 1.277 -2.551 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.53 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 61.73 33.14 18.09 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 122.544 1.164 . . . . 0.0 110.779 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.19 -23.43 33.4 Favored Glycine 0 N--CA 1.419 -2.447 0 CA-C-N 114.678 -1.147 . . . . 0.0 112.847 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 41.8 t -86.08 108.96 18.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-O 120.874 0.369 . . . . 0.0 110.371 -176.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.437 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 93.6 m -98.71 117.78 33.96 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.702 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 10' ' ' ARG . 42.9 ttp180 -115.73 106.74 14.21 Favored 'General case' 0 N--CA 1.418 -2.068 0 N-CA-C 105.62 -1.993 . . . . 0.0 105.62 174.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.531 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 57.0 m . . . . . 0 N--CA 1.404 -2.757 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.808 -172.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 40.5 m . . . . . 0 C--O 1.236 0.386 0 N-CA-C 110.778 -0.082 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -132.45 130.61 60.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 85.7 m -114.14 128.79 56.54 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 174.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -140.6 114.09 8.7 Favored 'General case' 0 C--N 1.283 -2.295 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.893 -177.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 53.62 44.88 29.15 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 125.084 1.353 . . . . 0.0 111.77 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.59 -20.55 49.11 Favored Glycine 0 N--CA 1.43 -1.713 0 CA-C-N 115.186 -0.915 . . . . 0.0 113.808 177.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 93.3 t -92.86 118.62 38.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 117.224 0.512 . . . . 0.0 110.489 -177.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 90.0 m -107.48 115.6 30.45 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.128 0.49 . . . . 0.0 110.102 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -124.62 124.8 43.0 Favored 'General case' 0 N--CA 1.421 -1.9 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 20.7 t . . . . . 0 N--CA 1.407 -2.586 0 CA-C-O 122.643 1.211 . . . . 0.0 110.254 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 42.5 t . . . . . 0 N--CA 1.431 -1.379 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.2 t -104.75 116.65 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.3 m -121.62 132.51 54.71 Favored 'General case' 0 C--N 1.295 -1.8 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.955 177.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -132.93 98.67 4.36 Favored 'General case' 0 C--N 1.29 -2.0 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.488 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 49.65 58.39 5.49 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 125.334 1.454 . . . . 0.0 112.216 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.71 -20.45 38.65 Favored Glycine 0 N--CA 1.42 -2.431 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.958 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.2 t -87.14 105.13 14.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 93.3 m -106.84 139.34 41.41 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.487 0.66 . . . . 0.0 111.61 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -132.94 97.54 4.05 Favored 'General case' 0 N--CA 1.419 -1.999 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 174.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 57.4 m . . . . . 0 N--CA 1.415 -2.223 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.365 -175.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 60.1 m . . . . . 0 N--CA 1.44 -0.967 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 83.1 t -127.11 135.75 62.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.487 -173.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 62.7 m -112.16 136.1 51.98 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 175.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -144.09 120.66 11.08 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 47.68 48.03 17.51 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.689 1.196 . . . . 0.0 112.334 177.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.57 8.71 82.65 Favored Glycine 0 N--CA 1.425 -2.057 0 N-CA-C 115.418 0.927 . . . . 0.0 115.418 174.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.9 p -125.68 132.21 71.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 118.44 1.12 . . . . 0.0 109.529 173.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 73.4 m -111.82 122.45 47.83 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -129.19 125.16 36.38 Favored 'General case' 0 N--CA 1.417 -2.105 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 36.2 t . . . . . 0 N--CA 1.405 -2.714 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.0 m . . . . . 0 N--CA 1.433 -1.287 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 50.0 t -102.9 118.06 49.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 -176.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 38.5 m -101.86 132.17 47.79 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.239 0.542 . . . . 0.0 109.813 178.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -142.72 119.11 10.9 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 63.7 31.29 14.47 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 122.634 1.207 . . . . 0.0 109.431 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.03 -6.16 80.22 Favored Glycine 0 N--CA 1.427 -1.956 0 CA-C-N 114.71 -1.132 . . . . 0.0 113.471 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 61.3 t -96.55 114.85 34.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 117.369 0.585 . . . . 0.0 109.924 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 68.4 m -97.63 119.61 36.51 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.057 -178.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.8 ttp85 -112.07 121.9 46.25 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 76.3 m . . . . . 0 C--N 1.29 -1.994 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -179.28 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 87.9 m . . . . . 0 N--CA 1.446 -0.635 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.2 t -113.53 136.64 49.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -174.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.5 m -115.4 129.82 56.7 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 121.669 0.747 . . . . 0.0 109.958 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -135.71 114.14 11.65 Favored 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 61.23 34.37 18.75 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-O 122.399 1.095 . . . . 0.0 109.611 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.79 -14.27 43.51 Favored Glycine 0 N--CA 1.439 -1.122 0 CA-C-N 115.567 -0.742 . . . . 0.0 113.169 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.3 t -83.92 103.37 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.0 m -91.9 125.55 36.65 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.809 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -129.02 128.41 43.58 Favored 'General case' 0 N--CA 1.42 -1.961 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.662 -177.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.411 -2.391 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 175.361 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 60.4 m . . . . . 0 N--CA 1.447 -0.623 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -130.43 142.69 43.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -178.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 33.5 m -116.16 140.54 49.19 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.719 -0.792 . . . . 0.0 111.303 -177.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -128.89 107.44 9.64 Favored 'General case' 0 N--CA 1.42 -1.957 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.968 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 52.92 53.41 12.12 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 125.007 1.323 . . . . 0.0 111.367 173.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.05 -23.59 25.89 Favored Glycine 0 N--CA 1.434 -1.465 0 CA-C-N 115.648 -0.706 . . . . 0.0 113.823 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.7 t -99.36 113.16 33.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 117.287 0.544 . . . . 0.0 110.194 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 84.1 m -87.27 138.03 31.83 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 121.031 0.443 . . . . 0.0 111.485 178.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -130.84 113.02 13.56 Favored 'General case' 0 N--CA 1.421 -1.906 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.669 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 71.8 m . . . . . 0 N--CA 1.421 -1.882 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 171.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 39.6 m . . . . . 0 N--CA 1.419 -1.985 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.9 t -117.99 126.94 75.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 -176.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 45.6 m -98.44 120.32 38.66 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.725 0.774 . . . . 0.0 109.879 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -135.1 127.55 30.52 Favored 'General case' 0 C--N 1.275 -2.633 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.483 ' NE ' ' HA ' ' A' ' 6' ' ' ARG . 3.1 tpm_? 60.67 33.58 20.24 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.968 0.907 . . . . 0.0 109.693 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.53 -2.05 59.48 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-N 115.261 -0.881 . . . . 0.0 113.694 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -104.13 126.16 58.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 34.9 m -105.89 115.03 29.54 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-O 120.665 0.269 . . . . 0.0 110.333 -178.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.439 ' HE ' ' HA ' ' A' ' 10' ' ' ARG . 1.0 OUTLIER -109.82 141.61 42.25 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.555 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 61.4 m . . . . . 0 C--N 1.296 -1.747 0 CA-C-O 120.617 0.246 . . . . 0.0 111.179 -177.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 36.6 m . . . . . 0 N--CA 1.424 -1.742 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.1 t -112.4 123.25 67.94 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 -176.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.6 m -112.35 131.45 55.52 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.363 0.601 . . . . 0.0 110.275 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -131.57 107.67 9.01 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.53 178.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 58.25 39.35 25.81 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.07 0.948 . . . . 0.0 110.601 177.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.1 -18.56 57.14 Favored Glycine 0 N--CA 1.425 -2.034 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.501 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.3 t -87.41 105.85 15.6 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 76.6 m -95.52 123.4 39.04 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.654 177.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -121.66 125.65 47.15 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 106.255 -1.758 . . . . 0.0 106.255 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.4 t . . . . . 0 C--N 1.295 -1.764 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -173.135 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 N--CA 1.426 -1.667 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -138.62 135.34 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.43 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 60.2 m -108.98 129.27 55.44 Favored 'General case' 0 N--CA 1.425 -1.703 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 175.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -140.57 112.46 7.62 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 6' ' ' ARG . 65.1 ttt180 57.92 37.72 26.87 Favored 'General case' 0 CA--C 1.556 1.209 0 CA-C-O 123.213 1.482 . . . . 0.0 110.69 -178.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.39 -15.54 62.72 Favored Glycine 0 N--CA 1.426 -1.989 0 CA-C-N 114.733 -1.121 . . . . 0.0 113.372 178.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 79.8 t -88.46 104.28 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 CA-C-O 120.855 0.359 . . . . 0.0 110.888 -177.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 72.1 m -94.15 107.98 19.87 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.53 177.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -108.53 103.04 12.08 Favored 'General case' 0 N--CA 1.409 -2.517 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 m . . . . . 0 N--CA 1.42 -1.943 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 175.906 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 70.0 m . . . . . 0 N--CA 1.432 -1.332 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.5 t -98.17 108.05 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.557 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -177.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 52.6 m -92.71 127.76 38.33 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-O 121.334 0.588 . . . . 0.0 109.483 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.411 ' O ' HG12 ' A' ' 8' ' ' VAL . 11.6 ptp180 -140.51 115.62 9.82 Favored 'General case' 0 C--N 1.284 -2.258 0 CA-C-N 114.671 -1.149 . . . . 0.0 109.177 -178.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 51.03 46.62 26.17 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.145 0.978 . . . . 0.0 111.84 177.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.1 -13.34 67.9 Favored Glycine 0 N--CA 1.427 -1.945 0 CA-C-N 115.219 -0.901 . . . . 0.0 115.018 175.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 12.7 p -108.92 128.38 64.8 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.132 0 CA-C-N 118.401 1.1 . . . . 0.0 110.53 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 71.5 m -102.03 111.41 23.66 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.277 0.561 . . . . 0.0 110.695 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -96.61 106.89 19.24 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 63.8 m . . . . . 0 C--N 1.284 -2.254 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.4 m . . . . . 0 N--CA 1.437 -1.118 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 52.7 t -102.69 129.42 54.31 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 -177.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.5 m -116.12 134.59 54.77 Favored 'General case' 0 C--N 1.294 -1.821 0 CA-C-O 121.031 0.443 . . . . 0.0 109.834 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -145.74 129.75 17.41 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.173 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 61.1 27.13 16.97 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.249 1.02 . . . . 0.0 111.573 175.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.01 -6.85 76.59 Favored Glycine 0 N--CA 1.426 -2.026 0 CA-C-N 115.504 -0.771 . . . . 0.0 114.037 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.8 p -111.58 139.97 33.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 117.713 0.757 . . . . 0.0 109.937 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.5 m -112.09 147.84 35.19 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.109 0.48 . . . . 0.0 111.559 -178.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -138.11 128.42 26.09 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 176.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.1 m . . . . . 0 C--N 1.292 -1.906 0 CA-C-O 120.67 0.271 . . . . 0.0 110.34 -179.712 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.0 m . . . . . 0 N--CA 1.438 -1.061 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.3 t -104.75 121.72 56.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 -178.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 56.6 m -111.57 130.2 55.82 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 120.962 0.411 . . . . 0.0 110.474 -179.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -145.18 119.05 9.27 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 115.067 -0.969 . . . . 0.0 109.626 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 60.61 38.82 18.44 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 122.229 1.014 . . . . 0.0 110.31 175.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.76 -11.97 67.1 Favored Glycine 0 N--CA 1.435 -1.413 0 CA-C-N 114.918 -1.037 . . . . 0.0 113.311 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 55.9 t -91.83 102.43 13.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 O-C-N 122.516 -0.402 . . . . 0.0 109.917 -178.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.8 m -94.86 111.25 23.05 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -105.81 113.08 26.41 Favored 'General case' 0 N--CA 1.428 -1.561 0 C-N-CA 119.954 -0.698 . . . . 0.0 110.462 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.2 m . . . . . 0 C--N 1.286 -2.175 0 N-CA-C 104.023 -2.584 . . . . 0.0 104.023 170.738 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 21.8 m . . . . . 0 N--CA 1.432 -1.337 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.3 t -126.3 136.56 60.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -175.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.3 m -125.17 132.2 53.08 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 121.161 0.505 . . . . 0.0 110.021 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -145.33 132.61 20.57 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 175.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 61.32 30.54 19.13 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 122.563 1.173 . . . . 0.0 109.408 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.28 -1.68 64.19 Favored Glycine 0 N--CA 1.432 -1.633 0 CA-C-N 115.09 -0.959 . . . . 0.0 113.192 -178.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.3 t -92.68 107.45 19.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.6 m -96.81 129.04 44.3 Favored 'General case' 0 C--N 1.287 -2.143 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.65 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -133.72 138.36 45.76 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 105.51 -2.033 . . . . 0.0 105.51 175.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 6.7 t . . . . . 0 N--CA 1.401 -2.895 0 C-N-CA 118.25 -1.38 . . . . 0.0 109.521 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.437 -1.111 0 N-CA-C 108.085 -1.079 . . . . 0.0 108.085 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 9' ' ' CYS . 3.4 p -117.1 127.01 74.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 64.3 m -122.49 134.82 54.56 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 120.96 0.41 . . . . 0.0 110.117 178.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -136.31 109.84 7.98 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 175.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 62.24 32.58 17.13 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 122.163 0.982 . . . . 0.0 110.455 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.0 -12.01 70.63 Favored Glycine 0 N--CA 1.429 -1.79 0 CA-C-N 115.329 -0.851 . . . . 0.0 113.357 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 56.0 t -82.53 105.7 12.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 177.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 80.0 m -107.73 130.8 54.92 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.332 0.587 . . . . 0.0 111.549 -178.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -119.83 125.35 48.33 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 174.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.284 -2.242 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 -179.678 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 88.8 m . . . . . 0 N--CA 1.429 -1.513 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.2 t -100.35 108.74 23.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -177.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.635 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 86.2 m -108.57 119.72 40.33 Favored 'General case' 0 CA--C 1.487 -1.464 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -139.94 111.82 7.46 Favored 'General case' 0 C--N 1.274 -2.695 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.192 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 56.2 42.11 28.52 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 124.565 1.146 . . . . 0.0 110.435 174.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.86 -27.75 18.84 Favored Glycine 0 N--CA 1.42 -2.426 0 CA-C-N 115.387 -0.824 . . . . 0.0 113.31 177.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.635 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 49.0 t -83.43 104.62 12.18 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 O-C-N 122.535 -0.391 . . . . 0.0 110.686 -176.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.4 m -100.88 109.88 21.88 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 174.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -110.27 109.52 20.0 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.871 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.5 m . . . . . 0 C--N 1.304 -1.406 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.393 176.751 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 1' ' ' ARG . 37.1 ttt180 . . . . . 0 N--CA 1.447 -0.622 0 CA-C-O 121.437 0.637 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 73.5 m -120.65 137.59 54.37 Favored 'General case' 0 N--CA 1.426 -1.656 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 173.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t -101.94 119.69 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -174.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 62.4 m -109.63 133.66 52.86 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.168 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -130.11 98.76 4.84 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.846 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 58.27 45.58 16.95 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 122.415 1.102 . . . . 0.0 110.529 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.34 -19.0 52.85 Favored Glycine 0 N--CA 1.425 -2.096 0 CA-C-N 115.316 -0.856 . . . . 0.0 113.418 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.7 t -85.81 103.34 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.4 m -99.22 123.65 43.67 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.146 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -131.15 129.5 41.85 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 52.6 m -91.86 113.37 25.63 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-O 121.655 0.741 . . . . 0.0 111.171 -175.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.2 t -92.68 92.26 3.7 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 N-CA-C 106.128 -1.804 . . . . 0.0 106.128 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.6 m -89.32 158.9 17.63 Favored 'General case' 0 N--CA 1.415 -2.191 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.065 -175.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -100.18 83.16 2.63 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 39.15 63.17 0.98 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.138 1.775 . . . . 0.0 112.873 -177.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.66 -20.77 44.98 Favored Glycine 0 C--N 1.314 -0.667 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.781 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.2 t -95.36 86.21 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.935 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.0 m . . . . . 0 C--N 1.289 -2.056 0 CA-C-N 114.53 -1.213 . . . . 0.0 110.974 179.574 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 . . . . . 0 CA--C 1.507 -0.701 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 84.7 m -101.07 126.26 47.74 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 121.02 0.438 . . . . 0.0 110.239 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.6 t -112.3 122.33 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.282 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 55.6 m -102.75 119.86 39.58 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 177.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -146.76 136.33 22.98 Favored 'General case' 0 C--N 1.274 -2.684 0 CA-C-N 114.168 -1.378 . . . . 0.0 108.525 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.8 ttp-105 63.07 26.97 15.64 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 122.623 1.201 . . . . 0.0 110.1 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.34 0.86 90.21 Favored Glycine 0 N--CA 1.426 -1.969 0 CA-C-N 114.673 -1.148 . . . . 0.0 113.952 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 13.8 p -117.49 141.06 37.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 118.009 0.904 . . . . 0.0 109.652 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 67.1 m -104.44 114.9 29.43 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.214 0.53 . . . . 0.0 110.018 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -107.78 124.28 49.82 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 75.5 m -95.72 115.0 26.8 Favored 'General case' 0 N--CA 1.422 -1.873 0 CA-C-O 122.15 0.976 . . . . 0.0 112.282 -178.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.5 t -91.73 119.15 38.58 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.192 0 CA-C-N 113.832 -1.531 . . . . 0.0 107.19 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -143.39 161.33 38.66 Favored 'General case' 0 C--N 1.285 -2.196 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -122.71 78.27 1.52 Allowed 'General case' 0 C--N 1.282 -2.354 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.81 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 43.49 51.24 6.22 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 126.136 1.775 . . . . 0.0 112.329 177.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.33 -30.42 6.49 Favored Glycine 0 N--CA 1.426 -1.991 0 CA-C-N 115.131 -0.94 . . . . 0.0 112.304 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 t -86.67 78.19 1.53 Allowed 'Isoleucine or valine' 0 C--O 1.246 0.887 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.0 m . . . . . 0 C--N 1.286 -2.181 0 CA-C-N 114.113 -1.403 . . . . 0.0 109.535 -176.557 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 . . . . . 0 CA--C 1.511 -0.554 0 N-CA-C 111.703 0.261 . . . . 0.0 111.703 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.3 m -107.92 121.9 45.73 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 173.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.6 t -120.18 121.06 64.79 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 45.3 m -110.86 122.08 46.96 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 121.582 0.706 . . . . 0.0 110.053 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -123.86 115.63 21.63 Favored 'General case' 0 C--N 1.284 -2.273 0 CA-C-N 114.43 -1.259 . . . . 0.0 108.816 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.5 ttt-85 59.09 36.51 24.19 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.17 0.988 . . . . 0.0 110.386 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.17 -14.47 60.69 Favored Glycine 0 N--CA 1.434 -1.488 0 CA-C-N 115.409 -0.814 . . . . 0.0 113.36 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.91 116.13 31.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 81.7 m -100.19 126.73 46.5 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 121.264 0.554 . . . . 0.0 111.645 -178.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -120.1 120.19 35.52 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 105.816 -1.92 . . . . 0.0 105.816 175.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.8 t -133.13 145.78 51.0 Favored 'General case' 0 C--N 1.285 -2.237 0 C-N-CA 119.491 -0.884 . . . . 0.0 112.1 -175.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.96 128.07 73.96 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.817 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 170.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.1 t -102.03 166.35 10.67 Favored 'General case' 0 C--N 1.293 -1.886 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.393 -173.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.42 ' HB3' HG13 ' A' ' 17' ' ' VAL . 13.5 tpp180 -130.45 79.04 1.88 Allowed 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -178.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 38.66 60.29 1.39 Allowed 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.854 1.662 . . . . 0.0 112.732 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 108.71 -35.43 4.96 Favored Glycine 0 N--CA 1.436 -1.359 0 C-N-CA 120.241 -0.98 . . . . 0.0 113.421 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.42 HG13 ' HB3' ' A' ' 14' ' ' ARG . 7.2 p -100.57 87.51 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 CA-C-O 123.174 1.464 . . . . 0.0 108.617 -178.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 m . . . . . 0 C--N 1.277 -2.546 0 CA-C-N 113.296 -1.774 . . . . 0.0 109.234 -176.276 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 2' ' ' CYS . 34.2 ttm180 . . . . . 0 C--O 1.242 0.7 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 1' ' ' ARG . 56.0 m -80.66 140.37 35.7 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 170.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -114.12 125.97 71.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.96 -172.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 53.0 m -106.96 132.75 52.55 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -127.78 105.4 8.42 Favored 'General case' 0 C--N 1.288 -2.072 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.524 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 55.05 47.08 22.81 Favored 'General case' 0 C--O 1.244 0.8 0 CA-C-O 122.64 1.209 . . . . 0.0 110.286 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.36 -16.94 54.79 Favored Glycine 0 N--CA 1.433 -1.556 0 CA-C-N 114.532 -1.213 . . . . 0.0 113.894 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 44.9 t -86.27 104.13 13.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 81.6 m -92.62 119.6 32.21 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.237 0.541 . . . . 0.0 110.936 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -121.2 119.86 33.53 Favored 'General case' 0 N--CA 1.422 -1.831 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 -177.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.0 t -122.6 134.81 54.5 Favored 'General case' 0 C--N 1.283 -2.297 0 C-N-CA 119.813 -0.755 . . . . 0.0 109.687 -178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.5 p -143.64 123.94 9.34 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.571 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.1 m -85.13 149.93 25.2 Favored 'General case' 0 N--CA 1.407 -2.587 0 CA-C-O 122.015 0.912 . . . . 0.0 110.823 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -131.99 85.73 2.27 Favored 'General case' 0 C--N 1.266 -3.058 0 CA-C-N 113.937 -1.483 . . . . 0.0 108.092 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 37.98 73.95 0.09 Allowed 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 127.116 2.167 . . . . 0.0 113.977 176.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.43 -21.14 43.95 Favored Glycine 0 C--N 1.303 -1.294 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.656 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.6 t -104.55 90.45 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.427 -1.619 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 76.1 m . . . . . 0 C--N 1.286 -2.187 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 172.342 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 121.847 0.832 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.531 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 16.4 t -147.19 148.14 31.21 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 120.977 -1.077 . . . . 0.0 110.534 -177.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.2 t -111.75 108.0 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.223 0 N-CA-C 108.112 -1.069 . . . . 0.0 108.112 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 63.1 m -110.22 120.11 41.39 Favored 'General case' 0 C--N 1.29 -2.019 0 CA-C-O 121.448 0.642 . . . . 0.0 109.453 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -127.85 108.44 10.72 Favored 'General case' 0 C--N 1.277 -2.551 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.53 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 61.73 33.14 18.09 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 122.544 1.164 . . . . 0.0 110.779 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.19 -23.43 33.4 Favored Glycine 0 N--CA 1.419 -2.447 0 CA-C-N 114.678 -1.147 . . . . 0.0 112.847 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 41.8 t -86.08 108.96 18.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-O 120.874 0.369 . . . . 0.0 110.371 -176.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.437 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 93.6 m -98.71 117.78 33.96 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.702 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 10' ' ' ARG . 42.9 ttp180 -115.73 106.74 14.21 Favored 'General case' 0 N--CA 1.418 -2.068 0 N-CA-C 105.62 -1.993 . . . . 0.0 105.62 174.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.531 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 57.0 m -87.42 127.73 35.22 Favored 'General case' 0 N--CA 1.404 -2.757 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.808 -172.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -83.71 92.11 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.693 0 CA-C-O 122.878 1.323 . . . . 0.0 109.262 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 56.6 m -107.3 163.19 13.24 Favored 'General case' 0 N--CA 1.403 -2.783 0 CA-C-N 113.808 -1.542 . . . . 0.0 107.983 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -121.75 104.32 9.51 Favored 'General case' 0 C--N 1.278 -2.501 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 41.59 68.38 0.46 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.37 1.468 . . . . 0.0 112.715 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.89 -20.31 25.32 Favored Glycine 0 C--N 1.307 -1.074 0 C-N-CA 120.853 -0.689 . . . . 0.0 113.983 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.5 t -80.56 83.76 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 CA-C-O 121.933 0.873 . . . . 0.0 109.866 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.3 m . . . . . 0 C--N 1.291 -1.969 0 CA-C-N 113.712 -1.585 . . . . 0.0 109.271 175.5 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 . . . . . 0 C--O 1.236 0.373 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 40.5 m -94.33 127.27 40.1 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.778 -175.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -132.45 130.61 60.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 85.7 m -114.14 128.79 56.54 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 174.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -140.6 114.09 8.7 Favored 'General case' 0 C--N 1.283 -2.295 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.893 -177.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 53.62 44.88 29.15 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 125.084 1.353 . . . . 0.0 111.77 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.59 -20.55 49.11 Favored Glycine 0 N--CA 1.43 -1.713 0 CA-C-N 115.186 -0.915 . . . . 0.0 113.808 177.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 93.3 t -92.86 118.62 38.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 117.224 0.512 . . . . 0.0 110.489 -177.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 90.0 m -107.48 115.6 30.45 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.128 0.49 . . . . 0.0 110.102 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -124.62 124.8 43.0 Favored 'General case' 0 N--CA 1.421 -1.9 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 20.7 t -120.13 114.82 22.52 Favored 'General case' 0 N--CA 1.407 -2.586 0 CA-C-O 122.643 1.211 . . . . 0.0 110.254 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.5 t -96.3 126.05 49.03 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.083 0 CA-C-N 113.558 -1.655 . . . . 0.0 108.575 -177.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 85.1 m -116.31 163.37 16.11 Favored 'General case' 0 N--CA 1.403 -2.801 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 174.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -131.48 159.27 38.58 Favored 'General case' 0 C--N 1.279 -2.496 0 N-CA-C 103.897 -2.631 . . . . 0.0 103.897 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -80.8 65.31 5.9 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 122.864 1.316 . . . . 0.0 109.467 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 164.23 -18.28 0.12 Allowed Glycine 0 C--N 1.278 -2.664 0 CA-C-N 112.551 -2.113 . . . . 0.0 110.681 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.5 t -135.27 95.73 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -178.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 t . . . . . 0 C--N 1.295 -1.766 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 177.282 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 . . . . . 0 CA--C 1.51 -0.588 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 42.5 t -149.73 148.7 29.56 Favored 'General case' 0 N--CA 1.431 -1.379 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -174.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.2 t -104.75 116.65 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.3 m -121.62 132.51 54.71 Favored 'General case' 0 C--N 1.295 -1.8 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.955 177.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -132.93 98.67 4.36 Favored 'General case' 0 C--N 1.29 -2.0 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.488 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 49.65 58.39 5.49 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 125.334 1.454 . . . . 0.0 112.216 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.71 -20.45 38.65 Favored Glycine 0 N--CA 1.42 -2.431 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.958 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.2 t -87.14 105.13 14.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 93.3 m -106.84 139.34 41.41 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.487 0.66 . . . . 0.0 111.61 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -132.94 97.54 4.05 Favored 'General case' 0 N--CA 1.419 -1.999 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 174.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 57.4 m -90.86 135.76 33.51 Favored 'General case' 0 N--CA 1.415 -2.223 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.365 -175.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.5 m -106.29 144.86 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.9 t -119.78 160.9 21.7 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.103 0.477 . . . . 0.0 110.492 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -132.68 78.61 1.81 Allowed 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 36.08 69.93 0.17 Allowed 'General case' 0 C--O 1.246 0.892 0 C-N-CA 125.936 1.694 . . . . 0.0 113.955 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.03 -32.27 7.39 Favored Glycine 0 N--CA 1.434 -1.461 0 CA-C-N 114.614 -1.175 . . . . 0.0 111.827 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.4 t -92.46 80.4 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.8 m . . . . . 0 C--N 1.284 -2.271 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.321 -177.718 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 . . . . . 0 C--O 1.243 0.745 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 60.1 m -105.13 122.38 45.79 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 174.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 83.1 t -127.11 135.75 62.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.487 -173.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 62.7 m -112.16 136.1 51.98 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 175.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -144.09 120.66 11.08 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 47.68 48.03 17.51 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.689 1.196 . . . . 0.0 112.334 177.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.57 8.71 82.65 Favored Glycine 0 N--CA 1.425 -2.057 0 N-CA-C 115.418 0.927 . . . . 0.0 115.418 174.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.9 p -125.68 132.21 71.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 118.44 1.12 . . . . 0.0 109.529 173.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 73.4 m -111.82 122.45 47.83 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -129.19 125.16 36.38 Favored 'General case' 0 N--CA 1.417 -2.105 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 36.2 t -116.24 132.86 56.55 Favored 'General case' 0 N--CA 1.405 -2.714 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.4 m -107.61 100.6 11.04 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.298 0 CA-C-O 122.238 1.018 . . . . 0.0 110.82 -177.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 79.4 m -121.52 165.96 14.88 Favored 'General case' 0 N--CA 1.406 -2.674 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.015 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -117.58 156.12 28.66 Favored 'General case' 0 C--N 1.283 -2.296 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -80.01 64.14 4.75 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 122.631 1.205 . . . . 0.0 108.408 -177.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.38 -19.63 0.09 OUTLIER Glycine 0 C--N 1.278 -2.662 0 CA-C-N 113.056 -1.884 . . . . 0.0 111.174 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -155.15 111.18 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.825 0 CA-C-O 122.01 0.91 . . . . 0.0 109.594 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.278 -2.529 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -178.515 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.0 m -93.65 137.15 33.21 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 174.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 50.0 t -102.9 118.06 49.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 -176.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 38.5 m -101.86 132.17 47.79 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.239 0.542 . . . . 0.0 109.813 178.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -142.72 119.11 10.9 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 63.7 31.29 14.47 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 122.634 1.207 . . . . 0.0 109.431 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.03 -6.16 80.22 Favored Glycine 0 N--CA 1.427 -1.956 0 CA-C-N 114.71 -1.132 . . . . 0.0 113.471 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 61.3 t -96.55 114.85 34.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 117.369 0.585 . . . . 0.0 109.924 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 68.4 m -97.63 119.61 36.51 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.057 -178.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.8 ttp85 -112.07 121.9 46.25 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 76.3 m -94.62 132.04 39.75 Favored 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.8 t -77.13 99.11 2.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.004 -177.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.1 t -70.36 160.23 32.68 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.635 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -113.03 71.07 0.73 Allowed 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -174.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 39.97 68.53 0.38 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 113.701 -1.591 . . . . 0.0 112.61 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 103.62 -28.92 13.46 Favored Glycine 0 N--CA 1.44 -1.053 0 CA-C-N 115.288 -0.869 . . . . 0.0 112.301 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.1 t -93.01 79.25 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.7 m . . . . . 0 C--N 1.301 -1.524 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.104 -176.923 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 . . . . . 0 CA--C 1.51 -0.569 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 87.9 m -73.06 123.21 23.1 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.2 t -113.53 136.64 49.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -174.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.5 m -115.4 129.82 56.7 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 121.669 0.747 . . . . 0.0 109.958 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -135.71 114.14 11.65 Favored 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 61.23 34.37 18.75 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-O 122.399 1.095 . . . . 0.0 109.611 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.79 -14.27 43.51 Favored Glycine 0 N--CA 1.439 -1.122 0 CA-C-N 115.567 -0.742 . . . . 0.0 113.169 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.3 t -83.92 103.37 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.0 m -91.9 125.55 36.65 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.809 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -129.02 128.41 43.58 Favored 'General case' 0 N--CA 1.42 -1.961 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.662 -177.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.5 m -109.79 125.58 52.87 Favored 'General case' 0 N--CA 1.411 -2.391 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.2 t -82.41 96.84 3.79 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.153 0 N-CA-C 106.455 -1.683 . . . . 0.0 106.455 174.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 57.9 m -95.97 160.96 14.19 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.523 -175.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -101.4 76.97 1.74 Allowed 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 106.146 -1.798 . . . . 0.0 106.146 173.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 39.34 71.55 0.17 Allowed 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 126.051 1.741 . . . . 0.0 112.996 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.42 -22.81 38.28 Favored Glycine 0 C--N 1.303 -1.262 0 C-N-CA 120.179 -1.01 . . . . 0.0 112.474 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.2 t -85.95 85.04 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.103 0 CA-C-O 121.696 0.76 . . . . 0.0 110.916 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.294 -1.835 0 CA-C-N 113.164 -1.835 . . . . 0.0 107.712 169.861 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? . . . . . 0 N--CA 1.443 -0.813 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 60.4 m -103.85 141.15 36.63 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -130.43 142.69 43.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -178.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 33.5 m -116.16 140.54 49.19 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.719 -0.792 . . . . 0.0 111.303 -177.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -128.89 107.44 9.64 Favored 'General case' 0 N--CA 1.42 -1.957 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.968 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 52.92 53.41 12.12 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 125.007 1.323 . . . . 0.0 111.367 173.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.05 -23.59 25.89 Favored Glycine 0 N--CA 1.434 -1.465 0 CA-C-N 115.648 -0.706 . . . . 0.0 113.823 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.7 t -99.36 113.16 33.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 117.287 0.544 . . . . 0.0 110.194 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 84.1 m -87.27 138.03 31.83 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 121.031 0.443 . . . . 0.0 111.485 178.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -130.84 113.02 13.56 Favored 'General case' 0 N--CA 1.421 -1.906 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.669 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 71.8 m -88.35 113.19 23.69 Favored 'General case' 0 N--CA 1.421 -1.882 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 171.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 p -98.08 134.69 35.52 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.17 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.809 -172.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.8 m -121.01 165.14 15.69 Favored 'General case' 0 N--CA 1.407 -2.624 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -104.7 159.08 16.06 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 103.654 -2.721 . . . . 0.0 103.654 172.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -74.95 63.97 1.26 Allowed 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 122.649 1.214 . . . . 0.0 110.051 -174.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 149.17 -13.23 1.09 Allowed Glycine 0 C--N 1.277 -2.738 0 CA-C-N 113.662 -1.608 . . . . 0.0 112.351 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.5 t -145.4 102.92 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -176.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.8 t . . . . . 0 C--N 1.291 -1.951 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 176.199 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 . . . . . 0 CA--C 1.508 -0.638 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 39.6 m -116.31 143.69 45.22 Favored 'General case' 0 N--CA 1.419 -1.985 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 174.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.9 t -117.99 126.94 75.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 -176.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 45.6 m -98.44 120.32 38.66 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.725 0.774 . . . . 0.0 109.879 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -135.1 127.55 30.52 Favored 'General case' 0 C--N 1.275 -2.633 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.483 ' NE ' ' HA ' ' A' ' 6' ' ' ARG . 3.1 tpm_? 60.67 33.58 20.24 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.968 0.907 . . . . 0.0 109.693 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.53 -2.05 59.48 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-N 115.261 -0.881 . . . . 0.0 113.694 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -104.13 126.16 58.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 34.9 m -105.89 115.03 29.54 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-O 120.665 0.269 . . . . 0.0 110.333 -178.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.439 ' HE ' ' HA ' ' A' ' 10' ' ' ARG . 1.0 OUTLIER -109.82 141.61 42.25 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.555 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 61.4 m -104.9 123.49 47.83 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-O 120.617 0.246 . . . . 0.0 111.179 -177.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 p -76.89 127.27 37.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 175.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.45 ' HB2' ' HA ' ' A' ' 18' ' ' CYS . 30.4 p -96.58 166.21 11.78 Favored 'General case' 0 N--CA 1.411 -2.388 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 -168.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -121.47 162.45 20.47 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 113.527 -1.67 . . . . 0.0 107.535 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -78.64 65.03 3.8 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 124.673 1.189 . . . . 0.0 107.917 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 176.09 -24.15 0.06 OUTLIER Glycine 0 C--N 1.276 -2.755 0 CA-C-N 113.244 -1.798 . . . . 0.0 110.457 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 5.4 p -147.67 95.9 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.45 ' HA ' ' HB2' ' A' ' 13' ' ' CYS . 32.2 t . . . . . 0 C--N 1.296 -1.737 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 . . . . . 0 C--O 1.241 0.657 0 CA-C-O 121.762 0.791 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 36.6 m -101.95 128.14 48.49 Favored 'General case' 0 N--CA 1.424 -1.742 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.452 -176.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.1 t -112.4 123.25 67.94 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 -176.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.6 m -112.35 131.45 55.52 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.363 0.601 . . . . 0.0 110.275 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -131.57 107.67 9.01 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.53 178.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 58.25 39.35 25.81 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.07 0.948 . . . . 0.0 110.601 177.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.1 -18.56 57.14 Favored Glycine 0 N--CA 1.425 -2.034 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.501 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.3 t -87.41 105.85 15.6 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 76.6 m -95.52 123.4 39.04 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.654 177.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -121.66 125.65 47.15 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 106.255 -1.758 . . . . 0.0 106.255 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.4 t -146.81 138.42 24.38 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -173.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.39 93.92 2.1 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 CA-C-O 122.359 1.076 . . . . 0.0 109.629 177.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.9 p -106.41 179.18 4.34 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 114.869 -1.059 . . . . 0.0 110.481 -177.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -114.32 152.36 31.54 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 105.504 -2.036 . . . . 0.0 105.504 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -81.44 67.0 7.22 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 123.125 1.441 . . . . 0.0 108.471 -178.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.13 -26.69 0.06 OUTLIER Glycine 0 C--N 1.276 -2.759 0 CA-C-N 111.957 -2.383 . . . . 0.0 109.516 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 p -139.56 87.49 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.291 0 CA-C-O 122.452 1.12 . . . . 0.0 108.86 176.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.3 t . . . . . 0 C--N 1.295 -1.798 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 -179.151 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.9 ttp85 . . . . . 0 C--O 1.24 0.604 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.2 t -125.57 145.31 50.18 Favored 'General case' 0 N--CA 1.426 -1.667 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -138.62 135.34 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.43 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 60.2 m -108.98 129.27 55.44 Favored 'General case' 0 N--CA 1.425 -1.703 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 175.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -140.57 112.46 7.62 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 6' ' ' ARG . 65.1 ttt180 57.92 37.72 26.87 Favored 'General case' 0 CA--C 1.556 1.209 0 CA-C-O 123.213 1.482 . . . . 0.0 110.69 -178.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.39 -15.54 62.72 Favored Glycine 0 N--CA 1.426 -1.989 0 CA-C-N 114.733 -1.121 . . . . 0.0 113.372 178.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 79.8 t -88.46 104.28 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 CA-C-O 120.855 0.359 . . . . 0.0 110.888 -177.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 72.1 m -94.15 107.98 19.87 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.53 177.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -108.53 103.04 12.08 Favored 'General case' 0 N--CA 1.409 -2.517 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 m -99.13 113.24 25.36 Favored 'General case' 0 N--CA 1.42 -1.943 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 175.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 p -82.16 140.53 16.31 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.81 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -177.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 61.0 m -92.2 164.38 13.58 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -94.51 90.23 6.12 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 44.17 56.89 4.56 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 126.219 1.808 . . . . 0.0 112.483 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.64 -6.69 82.06 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 114.879 -1.055 . . . . 0.0 113.728 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.3 t -115.78 101.14 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.504 0 CA-C-O 121.803 0.811 . . . . 0.0 110.084 -176.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.0 p . . . . . 0 C--N 1.278 -2.529 0 CA-C-N 114.402 -1.272 . . . . 0.0 108.968 172.213 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 . . . . . 0 C--O 1.238 0.449 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 70.0 m -106.42 129.1 54.46 Favored 'General case' 0 N--CA 1.432 -1.332 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 177.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.5 t -98.17 108.05 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.557 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -177.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 52.6 m -92.71 127.76 38.33 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-O 121.334 0.588 . . . . 0.0 109.483 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.411 ' O ' HG12 ' A' ' 8' ' ' VAL . 11.6 ptp180 -140.51 115.62 9.82 Favored 'General case' 0 C--N 1.284 -2.258 0 CA-C-N 114.671 -1.149 . . . . 0.0 109.177 -178.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 51.03 46.62 26.17 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.145 0.978 . . . . 0.0 111.84 177.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.1 -13.34 67.9 Favored Glycine 0 N--CA 1.427 -1.945 0 CA-C-N 115.219 -0.901 . . . . 0.0 115.018 175.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 12.7 p -108.92 128.38 64.8 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.132 0 CA-C-N 118.401 1.1 . . . . 0.0 110.53 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 71.5 m -102.03 111.41 23.66 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.277 0.561 . . . . 0.0 110.695 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -96.61 106.89 19.24 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 63.8 m -89.35 134.83 33.9 Favored 'General case' 0 C--N 1.284 -2.254 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.7 t -73.91 95.23 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 177.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.7 p -67.49 168.35 11.06 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 114.024 -1.444 . . . . 0.0 110.589 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -115.32 164.15 14.66 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -174.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -79.16 63.57 3.85 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 122.883 1.325 . . . . 0.0 108.6 -177.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.23 -24.72 0.08 OUTLIER Glycine 0 C--N 1.275 -2.829 0 CA-C-N 112.873 -1.967 . . . . 0.0 110.293 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.8 p -141.02 85.45 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 CA-C-O 122.511 1.148 . . . . 0.0 109.41 177.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.7 t . . . . . 0 C--N 1.289 -2.054 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 178.506 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 . . . . . 0 C--O 1.238 0.457 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.4 m -111.14 131.02 55.43 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 52.7 t -102.69 129.42 54.31 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 -177.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.5 m -116.12 134.59 54.77 Favored 'General case' 0 C--N 1.294 -1.821 0 CA-C-O 121.031 0.443 . . . . 0.0 109.834 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -145.74 129.75 17.41 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.173 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 61.1 27.13 16.97 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.249 1.02 . . . . 0.0 111.573 175.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.01 -6.85 76.59 Favored Glycine 0 N--CA 1.426 -2.026 0 CA-C-N 115.504 -0.771 . . . . 0.0 114.037 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.8 p -111.58 139.97 33.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 117.713 0.757 . . . . 0.0 109.937 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.5 m -112.09 147.84 35.19 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.109 0.48 . . . . 0.0 111.559 -178.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -138.11 128.42 26.09 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 176.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.1 m -101.8 123.37 45.63 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-O 120.67 0.271 . . . . 0.0 110.34 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.2 p -74.0 134.15 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.146 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 175.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.2 t -124.11 175.48 6.97 Favored 'General case' 0 C--N 1.281 -2.385 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.357 -173.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -106.55 98.14 7.85 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 55.25 29.82 13.52 Favored 'General case' 0 CA--C 1.567 1.623 0 CA-C-O 122.784 1.278 . . . . 0.0 111.477 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.82 22.74 78.27 Favored Glycine 0 CA--C 1.526 0.752 0 CA-C-N 114.559 -1.201 . . . . 0.0 113.629 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -138.56 96.9 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-O 122.218 1.009 . . . . 0.0 110.599 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 77.8 m . . . . . 0 C--N 1.296 -1.746 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.567 -179.575 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 . . . . . 0 N--CA 1.447 -0.618 0 CA-C-O 121.592 0.71 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.0 m -93.09 122.44 35.47 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.3 t -104.75 121.72 56.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 -178.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 56.6 m -111.57 130.2 55.82 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 120.962 0.411 . . . . 0.0 110.474 -179.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -145.18 119.05 9.27 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 115.067 -0.969 . . . . 0.0 109.626 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 60.61 38.82 18.44 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 122.229 1.014 . . . . 0.0 110.31 175.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.76 -11.97 67.1 Favored Glycine 0 N--CA 1.435 -1.413 0 CA-C-N 114.918 -1.037 . . . . 0.0 113.311 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 55.9 t -91.83 102.43 13.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 O-C-N 122.516 -0.402 . . . . 0.0 109.917 -178.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.8 m -94.86 111.25 23.05 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -105.81 113.08 26.41 Favored 'General case' 0 N--CA 1.428 -1.561 0 C-N-CA 119.954 -0.698 . . . . 0.0 110.462 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 35.2 m -104.75 113.73 27.51 Favored 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 104.023 -2.584 . . . . 0.0 104.023 170.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.34 91.89 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 CA-C-O 122.763 1.268 . . . . 0.0 110.977 -176.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.44 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 95.0 m -87.78 161.83 17.35 Favored 'General case' 0 N--CA 1.418 -2.043 0 CA-C-N 114.128 -1.396 . . . . 0.0 110.527 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -133.0 170.43 15.38 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 178.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -74.76 62.07 1.05 Allowed 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 125.283 1.433 . . . . 0.0 110.67 -173.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 152.1 -20.72 0.86 Allowed Glycine 0 C--N 1.278 -2.678 0 CA-C-N 113.582 -1.644 . . . . 0.0 110.451 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.3 t -111.61 84.32 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.685 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -176.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.44 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 7.5 t . . . . . 0 C--N 1.307 -1.276 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 177.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 . . . . . 0 C--O 1.238 0.45 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 21.8 m -112.63 148.98 33.48 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 120.517 -0.473 . . . . 0.0 109.835 -178.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.3 t -126.3 136.56 60.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -175.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.3 m -125.17 132.2 53.08 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 121.161 0.505 . . . . 0.0 110.021 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -145.33 132.61 20.57 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 175.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 61.32 30.54 19.13 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 122.563 1.173 . . . . 0.0 109.408 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.28 -1.68 64.19 Favored Glycine 0 N--CA 1.432 -1.633 0 CA-C-N 115.09 -0.959 . . . . 0.0 113.192 -178.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.3 t -92.68 107.45 19.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.6 m -96.81 129.04 44.3 Favored 'General case' 0 C--N 1.287 -2.143 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.65 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -133.72 138.36 45.76 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 105.51 -2.033 . . . . 0.0 105.51 175.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 6.7 t -101.84 138.76 38.39 Favored 'General case' 0 N--CA 1.401 -2.895 0 C-N-CA 118.25 -1.38 . . . . 0.0 109.521 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.7 t -85.39 92.58 3.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.435 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 27.6 m -78.65 155.2 29.64 Favored 'General case' 0 N--CA 1.426 -1.673 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.967 -177.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -111.15 72.62 0.79 Allowed 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.958 -176.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.2 ttm105 38.84 67.65 0.41 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.94 1.696 . . . . 0.0 112.689 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 103.08 -20.95 41.56 Favored Glycine 0 C--N 1.3 -1.443 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.618 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.3 t -106.61 81.85 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.432 -1.345 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -178.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.435 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 7.0 t . . . . . 0 C--N 1.295 -1.79 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 177.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 CA--C 1.519 -0.222 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.4 m -118.79 146.28 44.94 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.085 -1.079 . . . . 0.0 108.085 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 9' ' ' CYS . 3.4 p -117.1 127.01 74.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 64.3 m -122.49 134.82 54.56 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 120.96 0.41 . . . . 0.0 110.117 178.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -136.31 109.84 7.98 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 175.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 62.24 32.58 17.13 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 122.163 0.982 . . . . 0.0 110.455 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.0 -12.01 70.63 Favored Glycine 0 N--CA 1.429 -1.79 0 CA-C-N 115.329 -0.851 . . . . 0.0 113.357 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 56.0 t -82.53 105.7 12.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 177.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 80.0 m -107.73 130.8 54.92 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.332 0.587 . . . . 0.0 111.549 -178.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -119.83 125.35 48.33 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 174.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.2 t -131.83 141.39 49.42 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.4 p -92.7 147.5 5.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.0 p -70.77 165.01 23.99 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -112.15 162.66 15.2 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -174.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -79.03 56.23 1.94 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.508 1.147 . . . . 0.0 109.377 -172.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.97 -25.26 0.04 OUTLIER Glycine 0 C--N 1.281 -2.516 0 CA-C-N 113.79 -1.55 . . . . 0.0 110.367 -178.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.6 p -136.67 86.19 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.031 0 CA-C-O 122.555 1.169 . . . . 0.0 109.457 177.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.7 t . . . . . 0 C--N 1.293 -1.888 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -178.963 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 . . . . . 0 CA--C 1.508 -0.668 0 CA-C-O 121.219 0.533 . . . . 0.0 111.692 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 88.8 m -130.35 121.47 26.05 Favored 'General case' 0 N--CA 1.429 -1.513 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 172.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.2 t -100.35 108.74 23.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -177.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.635 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 86.2 m -108.57 119.72 40.33 Favored 'General case' 0 CA--C 1.487 -1.464 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 176.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -139.94 111.82 7.46 Favored 'General case' 0 C--N 1.274 -2.695 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.192 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 56.2 42.11 28.52 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 124.565 1.146 . . . . 0.0 110.435 174.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.86 -27.75 18.84 Favored Glycine 0 N--CA 1.42 -2.426 0 CA-C-N 115.387 -0.824 . . . . 0.0 113.31 177.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.635 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 49.0 t -83.43 104.62 12.18 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 O-C-N 122.535 -0.391 . . . . 0.0 110.686 -176.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.4 m -100.88 109.88 21.88 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 174.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -110.27 109.52 20.0 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.871 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.5 m -102.34 146.12 28.51 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.393 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.2 t -93.91 104.02 15.31 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 73.5 m -78.43 150.59 33.03 Favored 'General case' 0 N--CA 1.422 -1.872 0 CA-C-O 121.878 0.846 . . . . 0.0 111.304 -178.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -152.81 164.26 38.17 Favored 'General case' 0 C--N 1.274 -2.676 0 C-N-CA 126.544 1.938 . . . . 0.0 105.98 -174.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -76.64 63.78 2.16 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 122.622 1.201 . . . . 0.0 109.7 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 161.31 -18.51 0.19 Allowed Glycine 0 C--N 1.28 -2.555 0 CA-C-N 113.356 -1.747 . . . . 0.0 111.927 178.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 44.8 t -144.2 107.47 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 -178.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.2 t . . . . . 0 C--N 1.281 -2.383 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 176.623 . . . . . . . . 0 0 . 1 stop_ save_