data_2m2g_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 2m2g _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 ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.31 0 CA-C-O 120.16 -0.244 . . . . 0.0 113.175 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 C--N 1.324 -0.509 0 C-N-CA 118.878 -1.129 . . . . 0.0 110.767 -178.91 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? . . . . . 0 CA--C 1.495 -1.17 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 32.0 m -104.56 130.25 52.55 Favored 'General case' 0 C--N 1.282 -2.356 0 C-N-CA 118.972 -1.091 . . . . 0.0 109.41 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.8 t -119.24 127.78 75.84 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.635 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.198 -175.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.2 m -104.83 134.1 48.53 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -150.06 112.95 4.81 Favored 'General case' 0 C--N 1.287 -2.148 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.251 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 49.45 54.38 11.08 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 125.9 1.68 . . . . 0.0 112.133 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.78 -12.35 65.93 Favored Glycine 0 N--CA 1.429 -1.786 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.476 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 66.3 t -105.32 121.69 57.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 117.78 0.79 . . . . 0.0 109.008 -178.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 96.6 m -108.77 120.29 42.06 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 176.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -125.05 120.43 31.46 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.359 -173.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 93.8 m -86.42 120.53 27.85 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 170.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 C--N 1.294 -1.815 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.024 -174.448 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.437 ' HE ' ' HA ' ' A' ' 17' ' ' ARG . 1.2 mmp_? . . . . . 0 N--CA 1.43 -1.468 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 . . . . . 0 N--CA 1.472 0.627 0 C-N-CA 125.058 1.343 . . . . 0.0 111.404 178.102 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.874 0 CA-C-O 120.682 0.045 . . . . 0.0 113.013 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.6 t . . . . . 0 N--CA 1.44 -0.927 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.51 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 . . . . . 0 N--CA 1.435 -1.222 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 18.3 m -104.58 139.21 39.79 Favored 'General case' 0 C--N 1.284 -2.261 0 C-N-CA 118.989 -1.085 . . . . 0.0 110.901 -176.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.4 t -122.68 129.02 75.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 59.2 m -104.98 131.48 52.44 Favored 'General case' 0 C--N 1.293 -1.87 0 C-N-CA 119.784 -0.766 . . . . 0.0 110.372 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -161.16 145.82 13.66 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 115.012 -0.994 . . . . 0.0 108.918 -175.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 60.84 29.13 18.82 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 125.274 1.43 . . . . 0.0 110.383 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 7.66 87.1 Favored Glycine 0 N--CA 1.436 -1.321 0 CA-C-N 115.152 -0.931 . . . . 0.0 114.001 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.0 m -125.82 166.38 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 117.889 0.845 . . . . 0.0 108.936 178.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.5 m -123.58 123.65 41.06 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -111.82 129.06 56.27 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.381 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.3 m -96.09 114.53 26.25 Favored 'General case' 0 N--CA 1.42 -1.974 0 CA-C-O 121.876 0.846 . . . . 0.0 110.009 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.298 -1.67 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.443 -171.453 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 . . . . . 0 N--CA 1.437 -1.12 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 . . . . . 0 CA--C 1.541 0.597 0 CA-C-O 122.221 1.01 . . . . 0.0 110.059 179.612 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.517 0 N-CA-C 112.652 -0.179 . . . . 0.0 112.652 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.4 t . . . . . 0 C--N 1.318 -0.765 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.662 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 . . . . . 0 N--CA 1.417 -2.088 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 6.5 m -100.59 134.96 42.78 Favored 'General case' 0 C--N 1.28 -2.423 0 C-N-CA 119.404 -0.918 . . . . 0.0 110.871 -173.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.9 t -106.8 126.68 62.72 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.069 0 CA-C-N 114.37 -1.286 . . . . 0.0 108.011 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.5 m -103.93 129.9 51.5 Favored 'General case' 0 N--CA 1.421 -1.879 0 CA-C-O 121.234 0.54 . . . . 0.0 110.253 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -149.04 122.3 8.97 Favored 'General case' 0 C--N 1.283 -2.315 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.515 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 58.88 41.09 21.89 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 124.475 1.11 . . . . 0.0 110.681 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.59 -3.49 73.79 Favored Glycine 0 N--CA 1.438 -1.213 0 CA-C-N 114.96 -1.018 . . . . 0.0 113.538 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.4 t -103.65 122.64 56.55 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.186 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.6 m -105.52 119.26 38.66 Favored 'General case' 0 C--N 1.285 -2.233 0 C-N-CA 119.27 -0.972 . . . . 0.0 108.609 175.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -115.24 126.32 54.39 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.705 -176.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.0 m -87.55 121.32 29.83 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.297 0.57 . . . . 0.0 110.934 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.6 t . . . . . 0 C--N 1.31 -1.15 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.261 -174.566 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 . . . . . 0 N--CA 1.438 -1.032 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 . . . . . 0 CA--C 1.537 0.452 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.343 -179.759 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.94 0 N-CA-C 113.99 0.356 . . . . 0.0 113.99 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 C--N 1.317 -0.847 0 CA-C-N 117.35 0.575 . . . . 0.0 111.234 -175.061 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 . . . . . 0 N--CA 1.435 -1.2 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 47.0 m -112.55 143.93 42.89 Favored 'General case' 0 C--N 1.288 -2.102 0 C-N-CA 119.132 -1.027 . . . . 0.0 110.559 -178.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.3 t -127.63 123.21 60.83 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 78.6 m -104.55 142.46 34.6 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 120.639 0.257 . . . . 0.0 110.492 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.404 ' O ' HG23 ' A' ' 11' ' ' VAL . 14.3 tpp180 -149.34 118.62 6.83 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-O 121.024 0.44 . . . . 0.0 111.5 -176.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 55.13 37.21 28.54 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.481 1.512 . . . . 0.0 111.947 174.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.72 -15.09 56.04 Favored Glycine 0 N--CA 1.426 -2.014 0 C-N-CA 120.31 -0.947 . . . . 0.0 114.435 176.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 8' ' ' ARG . 23.3 m -108.83 160.1 7.89 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.033 0 CA-C-N 118.284 1.042 . . . . 0.0 108.863 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.6 m -129.66 124.87 34.7 Favored 'General case' 0 N--CA 1.413 -2.308 0 CA-C-O 121.744 0.783 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -109.24 104.26 13.37 Favored 'General case' 0 C--N 1.288 -2.1 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.582 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 92.5 m -85.86 130.81 34.44 Favored 'General case' 0 N--CA 1.417 -2.078 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 172.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.295 -1.772 0 CA-C-O 121.489 0.661 . . . . 0.0 111.173 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 . . . . . 0 N--CA 1.423 -1.808 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 . . . . . 0 CA--C 1.55 0.966 0 CA-C-O 122.203 1.001 . . . . 0.0 111.271 177.401 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.804 0 N-CA-C 113.277 0.071 . . . . 0.0 113.277 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.317 -0.847 0 O-C-N 122.038 -0.684 . . . . 0.0 109.438 -178.654 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 . . . . . 0 N--CA 1.446 -0.656 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 58.5 m -104.34 142.73 34.05 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 120.146 -0.621 . . . . 0.0 110.353 176.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.76 144.8 35.74 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.5 m -122.2 139.85 53.28 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 119.859 -0.736 . . . . 0.0 109.75 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -150.05 123.24 8.9 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 64.99 31.37 11.3 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 122.44 1.114 . . . . 0.0 110.126 178.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.59 -4.89 76.63 Favored Glycine 0 N--CA 1.438 -1.188 0 CA-C-N 114.913 -1.039 . . . . 0.0 112.346 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.3 t -103.05 122.65 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.391 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -177.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 82.5 m -96.68 139.87 32.11 Favored 'General case' 0 N--CA 1.412 -2.361 0 CA-C-O 121.882 0.849 . . . . 0.0 109.98 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -129.86 108.39 10.11 Favored 'General case' 0 C--N 1.269 -2.928 0 CA-C-N 114.419 -1.264 . . . . 0.0 107.604 -174.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.2 m -93.62 121.24 34.85 Favored 'General case' 0 CA--C 1.486 -1.5 0 CA-C-O 121.376 0.608 . . . . 0.0 111.751 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.0 t . . . . . 0 N--CA 1.416 -2.142 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 178.424 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 . . . . . 0 N--CA 1.434 -1.241 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 . . . . . 0 N--CA 1.473 0.69 0 C-N-CA 124.551 1.14 . . . . 0.0 109.643 -179.582 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.426 0 N-CA-C 113.645 0.218 . . . . 0.0 113.645 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.2 t . . . . . 0 C--N 1.317 -0.82 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.22 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.0 tpm_? . . . . . 0 N--CA 1.443 -0.821 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 30.1 m -96.1 137.5 35.08 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 119.122 -1.031 . . . . 0.0 109.213 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.3 p -137.41 141.09 40.63 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.323 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.885 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.3 m -113.78 128.76 56.54 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 174.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -149.96 129.65 13.2 Favored 'General case' 0 C--N 1.281 -2.408 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.435 -176.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 64.84 22.26 12.48 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.085 0.954 . . . . 0.0 110.943 175.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.58 2.5 76.0 Favored Glycine 0 N--CA 1.433 -1.539 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.145 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.9 t -109.03 121.86 62.79 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 89.4 m -101.78 132.44 47.52 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 175.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -145.19 126.95 15.29 Favored 'General case' 0 N--CA 1.42 -1.954 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.549 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 84.3 m -87.37 116.41 25.45 Favored 'General case' 0 N--CA 1.418 -2.027 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 172.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.0 t . . . . . 0 C--N 1.288 -2.101 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.345 -176.21 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 . . . . . 0 N--CA 1.428 -1.545 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 . . . . . 0 C--N 1.318 -0.792 0 CA-C-O 122.397 1.094 . . . . 0.0 109.911 177.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.325 0 N-CA-C 113.392 0.117 . . . . 0.0 113.392 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 N--CA 1.435 -1.198 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.51 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 . . . . . 0 N--CA 1.446 -0.635 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.7 m -98.66 142.21 30.51 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.587 176.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.9 t -129.73 129.87 66.51 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.82 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.2 m -104.42 133.41 49.34 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -160.46 135.74 7.96 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.278 -175.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 62.89 20.6 12.32 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-O 122.278 1.037 . . . . 0.0 111.326 173.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.45 -6.89 65.82 Favored Glycine 0 N--CA 1.43 -1.716 0 CA-C-N 115.536 -0.757 . . . . 0.0 113.779 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.0 m -116.5 154.65 18.07 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.931 0 O-C-N 122.088 -0.654 . . . . 0.0 109.471 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.5 m -119.23 120.43 37.01 Favored 'General case' 0 C--N 1.284 -2.273 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -110.93 125.24 53.47 Favored 'General case' 0 C--N 1.291 -1.938 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 87.8 m -93.81 114.3 26.53 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 119.371 -0.932 . . . . 0.0 111.43 176.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 C--N 1.296 -1.718 0 CA-C-N 114.789 -1.096 . . . . 0.0 108.99 -177.034 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 . . . . . 0 C--O 1.242 0.699 0 CA-C-O 120.8 0.333 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 . . . . . 0 C--O 1.241 0.617 0 C-N-CA 124.63 1.172 . . . . 0.0 110.95 177.855 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.749 0 CA-C-O 120.173 -0.237 . . . . 0.0 113.017 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 64.1 t . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 121.051 0.453 . . . . 0.0 110.69 -175.801 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 . . . . . 0 N--CA 1.444 -0.767 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 16.7 m -111.28 145.34 38.95 Favored 'General case' 0 C--N 1.283 -2.29 0 C-N-CA 119.716 -0.793 . . . . 0.0 111.384 -174.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.1 t -106.13 115.76 48.48 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.6 m -111.69 129.05 56.23 Favored 'General case' 0 CA--C 1.479 -1.783 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -163.75 141.41 7.32 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.585 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 61.88 21.31 12.18 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-O 122.526 1.155 . . . . 0.0 110.778 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.46 0.71 84.28 Favored Glycine 0 N--CA 1.43 -1.766 0 CA-C-N 115.452 -0.795 . . . . 0.0 113.676 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.6 p -114.5 146.64 18.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.8 m -122.19 145.19 48.44 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.7 ttp85 -138.25 125.28 21.37 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 68.4 m -90.12 122.08 32.76 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 120.854 0.359 . . . . 0.0 111.294 -178.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.8 t . . . . . 0 C--N 1.31 -1.128 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.255 -176.851 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 . . . . . 0 N--CA 1.436 -1.145 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 . . . . . 0 CA--C 1.543 0.687 0 CA-C-O 122.419 1.104 . . . . 0.0 109.284 179.893 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.982 0 N-CA-C 113.768 0.267 . . . . 0.0 113.768 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.4 t . . . . . 0 C--N 1.316 -0.865 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -178.641 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 . . . . . 0 N--CA 1.44 -0.927 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.3 m -95.13 144.18 25.97 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.184 -173.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.3 t -110.48 127.31 67.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.6 m -104.66 129.1 52.87 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 174.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -160.33 144.17 13.99 Favored 'General case' 0 C--N 1.285 -2.219 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -174.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 67.65 22.46 9.03 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 121.902 0.858 . . . . 0.0 110.011 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.71 7.87 88.16 Favored Glycine 0 N--CA 1.435 -1.409 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.225 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.5 t -125.96 142.62 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 96.6 m -102.16 136.66 41.6 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 121.13 0.49 . . . . 0.0 110.443 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -136.32 121.1 18.55 Favored 'General case' 0 N--CA 1.428 -1.549 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.556 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.7 m -87.09 125.81 34.37 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 121.403 0.621 . . . . 0.0 111.24 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.1 t . . . . . 0 C--N 1.297 -1.704 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 179.536 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 . . . . . 0 N--CA 1.424 -1.744 0 CA-C-O 121.141 0.496 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 CA--C 1.544 0.713 0 CA-C-N 114.484 -1.235 . . . . 0.0 110.57 -179.214 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.901 0 CA-C-O 121.145 0.303 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.433 -1.28 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -177.258 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 . . . . . 0 N--CA 1.434 -1.251 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 55.7 m -101.65 143.95 30.97 Favored 'General case' 0 C--N 1.287 -2.124 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.189 177.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.4 p -144.96 150.24 16.22 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.7 m -115.6 137.09 52.42 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.453 0.644 . . . . 0.0 110.128 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -134.96 117.94 16.34 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.668 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 66.9 19.21 10.65 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-O 121.799 0.809 . . . . 0.0 111.295 174.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.59 10.3 67.77 Favored Glycine 0 N--CA 1.434 -1.485 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 -177.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.8 t -111.46 123.63 67.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.5 m -103.4 129.89 50.6 Favored 'General case' 0 C--N 1.28 -2.44 0 CA-C-O 121.312 0.577 . . . . 0.0 110.239 -176.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -128.35 126.28 40.4 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.572 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 99.8 m -90.91 121.12 32.48 Favored 'General case' 0 N--CA 1.414 -2.264 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 173.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 C--N 1.282 -2.36 0 CA-C-O 121.635 0.731 . . . . 0.0 111.916 -174.743 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 . . . . . 0 N--CA 1.432 -1.346 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 . . . . . 0 N--CA 1.477 0.911 0 CA-C-O 122.809 1.29 . . . . 0.0 109.296 -177.16 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.94 0 N-CA-C 113.423 0.129 . . . . 0.0 113.423 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 99.6 t . . . . . 0 C--N 1.316 -0.868 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 179.433 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 . . . . . 0 N--CA 1.431 -1.404 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 37.6 m -101.01 143.56 31.0 Favored 'General case' 0 C--N 1.285 -2.207 0 C-N-CA 119.291 -0.963 . . . . 0.0 109.377 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.03 137.44 57.17 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.165 0 CA-C-N 115.279 -0.873 . . . . 0.0 108.756 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.5 m -104.49 136.2 44.48 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.664 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -146.7 118.91 8.3 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 114.801 -1.09 . . . . 0.0 108.306 -177.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 60.96 34.4 19.44 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.49 1.116 . . . . 0.0 110.691 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.65 2.88 82.28 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.299 -0.864 . . . . 0.0 113.179 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.0 t -105.14 129.23 58.2 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.255 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.5 m -107.78 118.78 37.65 Favored 'General case' 0 N--CA 1.415 -2.218 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.558 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -106.71 127.94 53.79 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 114.229 -1.351 . . . . 0.0 108.736 -174.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.2 m -98.52 120.21 38.56 Favored 'General case' 0 C--N 1.288 -2.097 0 C-N-CA 119.662 -0.815 . . . . 0.0 110.518 178.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.3 -1.555 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.409 -173.909 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 . . . . . 0 N--CA 1.436 -1.129 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.4 ttm105 . . . . . 0 CA--C 1.559 1.317 0 CA-C-O 122.777 1.275 . . . . 0.0 111.578 179.394 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.359 0 N-CA-C 112.6 -0.2 . . . . 0.0 112.6 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.32 -0.705 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -177.21 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 . . . . . 0 N--CA 1.436 -1.131 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.8 m -102.36 143.28 32.31 Favored 'General case' 0 C--N 1.285 -2.198 0 C-N-CA 119.288 -0.965 . . . . 0.0 108.977 176.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.2 p -138.76 133.08 41.37 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.096 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.57 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.3 m -108.45 132.8 53.42 Favored 'General case' 0 CA--C 1.488 -1.436 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 174.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -150.75 131.21 13.8 Favored 'General case' 0 C--N 1.273 -2.757 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -178.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.525 ' HA ' ' NE ' ' A' ' 9' ' ' ARG . 1.3 tpm_? 61.16 26.43 16.32 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.901 0.88 . . . . 0.0 111.689 178.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.1 -1.08 82.54 Favored Glycine 0 N--CA 1.435 -1.425 0 CA-C-N 116.008 -0.542 . . . . 0.0 113.629 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.7 p -115.67 143.59 25.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.5 m -120.01 134.82 55.14 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.168 0.508 . . . . 0.0 110.966 -176.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -129.81 128.83 43.13 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.175 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.2 m -97.32 113.46 25.1 Favored 'General case' 0 N--CA 1.418 -2.053 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 173.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.277 -2.549 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.716 -172.687 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 . . . . . 0 N--CA 1.416 -2.163 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 . . . . . 0 CA--C 1.537 0.455 0 CA-C-O 122.525 1.155 . . . . 0.0 109.067 -179.256 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.887 0 N-CA-C 113.994 0.358 . . . . 0.0 113.994 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.9 t . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 117.634 0.717 . . . . 0.0 110.734 -176.19 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 . . . . . 0 N--CA 1.429 -1.479 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.0 m -96.15 160.59 14.36 Favored 'General case' 0 C--N 1.285 -2.232 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -166.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.9 p -142.07 139.72 30.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.791 176.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.6 m -104.78 136.68 43.83 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.298 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -155.9 134.12 11.48 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.739 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 63.14 22.85 13.62 Favored 'General case' 0 CA--C 1.558 1.273 0 CA-C-O 122.302 1.049 . . . . 0.0 110.966 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.78 3.67 90.39 Favored Glycine 0 N--CA 1.441 -0.987 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.812 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.0 t -108.16 123.1 63.48 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.761 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 99.0 m -96.46 119.25 34.61 Favored 'General case' 0 N--CA 1.414 -2.243 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 177.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -115.89 119.34 35.65 Favored 'General case' 0 N--CA 1.417 -2.121 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.248 -172.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.8 m -90.72 121.18 32.39 Favored 'General case' 0 N--CA 1.415 -2.193 0 CA-C-O 121.22 0.533 . . . . 0.0 109.66 176.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 C--N 1.29 -1.981 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.13 -175.001 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 . . . . . 0 N--CA 1.42 -1.936 0 CA-C-O 121.495 0.664 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 . . . . . 0 C--N 1.317 -0.835 0 CA-C-N 113.944 -1.48 . . . . 0.0 109.509 -175.449 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.48 0 N-CA-C 113.282 0.073 . . . . 0.0 113.282 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.7 t . . . . . 0 C--N 1.312 -1.052 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -178.879 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 . . . . . 0 N--CA 1.435 -1.178 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 13.3 m -103.07 134.98 45.59 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 118.878 -1.129 . . . . 0.0 110.357 -178.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.9 t -112.31 128.23 69.06 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.437 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.4 m -103.69 129.79 51.09 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.277 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -144.86 121.24 10.96 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.611 -176.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? 61.65 33.95 17.87 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.44 1.114 . . . . 0.0 110.47 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.73 -0.22 89.62 Favored Glycine 0 N--CA 1.436 -1.304 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.824 178.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.8 t -105.54 122.6 59.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 100.0 m -100.49 119.72 38.92 Favored 'General case' 0 C--N 1.285 -2.23 0 CA-C-O 121.61 0.719 . . . . 0.0 109.111 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -115.58 123.71 49.14 Favored 'General case' 0 C--N 1.288 -2.098 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.554 -175.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.8 m -92.1 119.46 31.79 Favored 'General case' 0 N--CA 1.424 -1.773 0 CA-C-O 121.469 0.652 . . . . 0.0 110.368 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.7 t . . . . . 0 C--N 1.295 -1.782 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.428 -175.226 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 . . . . . 0 N--CA 1.426 -1.646 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 . . . . . 0 CA--C 1.542 0.652 0 C-N-CA 124.102 0.961 . . . . 0.0 110.497 178.24 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.036 0 N-CA-C 114.307 0.483 . . . . 0.0 114.307 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 C--N 1.313 -1.008 0 CA-C-N 117.327 0.564 . . . . 0.0 110.073 -176.816 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 . . . . . 0 N--CA 1.429 -1.489 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 21.0 m -102.28 143.86 31.52 Favored 'General case' 0 C--N 1.295 -1.803 0 C-N-CA 119.133 -1.027 . . . . 0.0 111.161 -175.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.5 t -119.77 129.83 74.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.6 m -105.11 129.41 53.53 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 120.213 -0.595 . . . . 0.0 109.989 177.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -148.15 131.68 16.75 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.982 -175.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 60.69 17.82 7.92 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.429 1.092 . . . . 0.0 113.218 173.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.28 14.31 45.38 Favored Glycine 0 N--CA 1.422 -2.258 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.078 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.4 p -134.27 144.29 35.68 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 175.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.8 m -112.2 121.63 45.47 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-O 121.701 0.762 . . . . 0.0 109.626 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -108.08 115.66 30.54 Favored 'General case' 0 C--N 1.28 -2.414 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.934 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.5 m -85.97 123.36 31.21 Favored 'General case' 0 C--N 1.287 -2.148 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 175.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 C--N 1.296 -1.76 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.887 -173.94 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 N--CA 1.437 -1.086 0 CA-C-O 121.219 0.533 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 . . . . . 0 C--O 1.238 0.457 0 CA-C-N 114.064 -1.426 . . . . 0.0 109.468 -175.69 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.343 0 N-CA-C 112.749 -0.141 . . . . 0.0 112.749 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.1 t . . . . . 0 C--N 1.315 -0.894 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -174.355 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 . . . . . 0 CA--C 1.502 -0.882 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 17.6 m -107.42 130.56 54.8 Favored 'General case' 0 C--N 1.279 -2.458 0 C-N-CA 118.792 -1.163 . . . . 0.0 109.985 -179.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.4 p -110.01 138.58 37.06 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.514 0 CA-C-N 114.51 -1.223 . . . . 0.0 108.71 -178.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.1 m -121.44 136.89 54.91 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.249 0.547 . . . . 0.0 110.693 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -138.28 120.27 15.51 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 115.406 -0.816 . . . . 0.0 108.87 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 61.5 15.42 6.69 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.2 1.4 . . . . 0.0 111.771 -177.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.87 -0.56 59.25 Favored Glycine 0 N--CA 1.429 -1.826 0 O-C-N 121.762 -0.586 . . . . 0.0 112.447 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.5 t -100.75 123.98 54.06 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.1 m -113.48 150.94 32.13 Favored 'General case' 0 C--N 1.285 -2.236 0 CA-C-O 121.222 0.534 . . . . 0.0 111.079 -172.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -141.32 131.24 24.46 Favored 'General case' 0 N--CA 1.414 -2.265 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.603 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 82.4 m -94.35 116.74 29.16 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 176.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.282 -2.33 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.116 -173.666 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.2 mtt-85 . . . . . 0 N--CA 1.429 -1.476 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 . . . . . 0 CA--C 1.541 0.61 0 CA-C-O 122.883 1.325 . . . . 0.0 108.551 -175.874 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.668 0 CA-C-O 120.689 0.049 . . . . 0.0 113.089 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.8 t . . . . . 0 C--N 1.312 -1.044 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -177.319 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 . . . . . 0 N--CA 1.432 -1.358 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 13.7 m -100.23 133.68 44.28 Favored 'General case' 0 N--CA 1.424 -1.738 0 C-N-CA 119.484 -0.886 . . . . 0.0 110.573 -178.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -106.48 129.28 60.14 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 CA-C-N 114.312 -1.313 . . . . 0.0 107.737 -177.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.3 m -113.87 140.39 48.39 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.652 -176.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -166.11 141.27 4.66 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.686 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 58.73 31.13 20.86 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.277 1.031 . . . . 0.0 111.91 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.57 3.6 83.82 Favored Glycine 0 N--CA 1.431 -1.67 0 CA-C-N 115.836 -0.62 . . . . 0.0 113.937 176.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.6 m -126.66 160.4 34.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 117.717 0.759 . . . . 0.0 109.646 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.5 m -132.19 130.62 41.28 Favored 'General case' 0 N--CA 1.418 -2.035 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -111.08 124.81 52.93 Favored 'General case' 0 C--N 1.288 -2.075 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 78.4 m -88.29 118.4 27.87 Favored 'General case' 0 N--CA 1.425 -1.676 0 CA-C-O 121.58 0.705 . . . . 0.0 110.345 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.292 -1.923 0 CA-C-N 114.415 -1.266 . . . . 0.0 110.061 -173.11 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 . . . . . 0 N--CA 1.43 -1.425 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 . . . . . 0 C--N 1.32 -0.689 0 C-N-CA 124.922 1.289 . . . . 0.0 110.954 179.562 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.079 0 CA-C-O 119.758 -0.468 . . . . 0.0 113.888 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.429 -1.502 0 CA-C-N 118.151 0.975 . . . . 0.0 111.836 -177.472 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 . . . . . 0 N--CA 1.436 -1.171 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 55.6 m -100.48 137.83 38.36 Favored 'General case' 0 C--N 1.281 -2.374 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.762 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -124.72 136.06 61.94 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.398 0 CA-C-N 114.658 -1.156 . . . . 0.0 107.964 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.6 m -125.13 131.18 53.31 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -144.38 128.65 17.79 Favored 'General case' 0 C--N 1.287 -2.111 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.843 -175.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 59.95 27.24 16.59 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.382 1.073 . . . . 0.0 110.986 178.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.99 5.17 83.78 Favored Glycine 0 N--CA 1.44 -1.1 0 C-N-CA 120.997 -0.621 . . . . 0.0 113.094 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.5 t -110.93 137.01 45.2 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.3 m -116.81 146.94 42.54 Favored 'General case' 0 C--N 1.293 -1.859 0 C-N-CA 119.935 -0.706 . . . . 0.0 111.247 -178.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -142.53 119.66 11.43 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.424 178.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 95.0 m -91.75 120.39 32.44 Favored 'General case' 0 N--CA 1.428 -1.556 0 CA-C-O 121.09 0.471 . . . . 0.0 110.229 174.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.292 -1.892 0 CA-C-O 121.603 0.716 . . . . 0.0 111.785 -178.632 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 . . . . . 0 N--CA 1.435 -1.217 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 . . . . . 0 C--O 1.246 0.873 0 CA-C-O 122.578 1.18 . . . . 0.0 109.885 177.535 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.992 0 CA-C-O 119.854 -0.414 . . . . 0.0 113.884 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p . . . . . 0 N--CA 1.443 -0.814 0 CA-C-N 117.916 0.858 . . . . 0.0 110.581 -177.441 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 . . . . . 0 N--CA 1.414 -2.252 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 21.8 m -96.05 134.78 38.68 Favored 'General case' 0 C--N 1.286 -2.182 0 C-N-CA 118.389 -1.324 . . . . 0.0 109.07 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.0 t -125.74 134.05 67.59 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.254 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.717 -175.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.9 m -104.45 127.14 52.08 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 172.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -167.87 149.37 5.37 Favored 'General case' 0 C--N 1.29 -2.008 0 CA-C-N 114.798 -1.092 . . . . 0.0 108.218 -173.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? 66.4 15.63 10.16 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 122.066 0.936 . . . . 0.0 110.283 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.46 -4.49 76.7 Favored Glycine 0 N--CA 1.425 -2.087 0 CA-C-N 115.102 -0.953 . . . . 0.0 113.486 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.7 m -127.78 169.35 19.33 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-N 117.753 0.776 . . . . 0.0 110.194 -176.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.0 m -121.64 135.6 54.97 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -133.61 135.51 44.26 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.917 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 70.8 m -91.32 117.95 30.09 Favored 'General case' 0 N--CA 1.417 -2.078 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 173.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.292 -1.915 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.586 -173.101 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 . . . . . 0 N--CA 1.433 -1.311 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 . . . . . 0 CA--C 1.545 0.767 0 CA-C-O 123.068 1.414 . . . . 0.0 109.512 -178.433 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.592 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 C--N 1.307 -1.257 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 . . . . . 0 N--CA 1.431 -1.41 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 18.1 m -101.8 139.59 37.23 Favored 'General case' 0 C--N 1.283 -2.298 0 CA-C-O 121.669 0.747 . . . . 0.0 111.312 -173.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.0 t -120.56 156.06 23.75 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.1 m -131.96 141.36 49.28 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -147.56 123.76 10.84 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 55.52 36.53 27.33 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.55 1.14 . . . . 0.0 110.932 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.85 -8.32 70.26 Favored Glycine 0 N--CA 1.435 -1.422 0 CA-C-N 115.673 -0.694 . . . . 0.0 113.643 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.3 t -100.58 128.14 52.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -179.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.7 m -107.55 144.94 33.84 Favored 'General case' 0 C--N 1.29 -1.997 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.835 -176.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -140.32 132.75 28.49 Favored 'General case' 0 N--CA 1.417 -2.086 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.28 -175.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 77.4 m -97.97 114.07 26.09 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 121.558 0.694 . . . . 0.0 110.365 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 t . . . . . 0 C--N 1.295 -1.771 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.229 -171.306 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 . . . . . 0 CA--C 1.496 -1.112 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 72.0 ttt180 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 122.945 1.355 . . . . 0.0 109.766 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.31 0 CA-C-O 120.16 -0.244 . . . . 0.0 113.175 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.0 p -98.61 120.16 47.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 118.878 -1.129 . . . . 0.0 110.767 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -122.16 138.68 54.38 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 32.0 m -104.56 130.25 52.55 Favored 'General case' 0 C--N 1.282 -2.356 0 C-N-CA 118.972 -1.091 . . . . 0.0 109.41 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.8 t -119.24 127.78 75.84 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.635 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.198 -175.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.2 m -104.83 134.1 48.53 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -150.06 112.95 4.81 Favored 'General case' 0 C--N 1.287 -2.148 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.251 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 49.45 54.38 11.08 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 125.9 1.68 . . . . 0.0 112.133 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.78 -12.35 65.93 Favored Glycine 0 N--CA 1.429 -1.786 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.476 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 66.3 t -105.32 121.69 57.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 117.78 0.79 . . . . 0.0 109.008 -178.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 96.6 m -108.77 120.29 42.06 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 176.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -125.05 120.43 31.46 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.359 -173.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 93.8 m -86.42 120.53 27.85 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 170.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.3 p -132.19 141.2 45.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.815 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.024 -174.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.437 ' HE ' ' HA ' ' A' ' 17' ' ' ARG . 1.2 mmp_? -109.78 85.67 2.15 Favored 'General case' 0 C--N 1.29 -2.019 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 . . . . . 0 N--CA 1.472 0.627 0 C-N-CA 125.058 1.343 . . . . 0.0 111.404 178.102 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.874 0 CA-C-O 120.682 0.045 . . . . 0.0 113.013 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.6 t -90.32 101.88 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.927 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -124.76 146.03 49.41 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 18.3 m -104.58 139.21 39.79 Favored 'General case' 0 C--N 1.284 -2.261 0 C-N-CA 118.989 -1.085 . . . . 0.0 110.901 -176.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.4 t -122.68 129.02 75.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 59.2 m -104.98 131.48 52.44 Favored 'General case' 0 C--N 1.293 -1.87 0 C-N-CA 119.784 -0.766 . . . . 0.0 110.372 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -161.16 145.82 13.66 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 115.012 -0.994 . . . . 0.0 108.918 -175.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 60.84 29.13 18.82 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 125.274 1.43 . . . . 0.0 110.383 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 7.66 87.1 Favored Glycine 0 N--CA 1.436 -1.321 0 CA-C-N 115.152 -0.931 . . . . 0.0 114.001 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.0 m -125.82 166.38 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 117.889 0.845 . . . . 0.0 108.936 178.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.5 m -123.58 123.65 41.06 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -111.82 129.06 56.27 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.381 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.3 m -96.09 114.53 26.25 Favored 'General case' 0 N--CA 1.42 -1.974 0 CA-C-O 121.876 0.846 . . . . 0.0 110.009 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.2 t -107.76 125.76 64.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.443 -171.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -97.33 98.99 10.44 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 . . . . . 0 CA--C 1.541 0.597 0 CA-C-O 122.221 1.01 . . . . 0.0 110.059 179.612 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.517 0 N-CA-C 112.652 -0.179 . . . . 0.0 112.652 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.4 t -95.33 100.41 10.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -131.63 145.7 51.81 Favored 'General case' 0 N--CA 1.417 -2.088 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 -177.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 6.5 m -100.59 134.96 42.78 Favored 'General case' 0 C--N 1.28 -2.423 0 C-N-CA 119.404 -0.918 . . . . 0.0 110.871 -173.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.9 t -106.8 126.68 62.72 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.069 0 CA-C-N 114.37 -1.286 . . . . 0.0 108.011 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.5 m -103.93 129.9 51.5 Favored 'General case' 0 N--CA 1.421 -1.879 0 CA-C-O 121.234 0.54 . . . . 0.0 110.253 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -149.04 122.3 8.97 Favored 'General case' 0 C--N 1.283 -2.315 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.515 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 58.88 41.09 21.89 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 124.475 1.11 . . . . 0.0 110.681 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.59 -3.49 73.79 Favored Glycine 0 N--CA 1.438 -1.213 0 CA-C-N 114.96 -1.018 . . . . 0.0 113.538 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.4 t -103.65 122.64 56.55 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.186 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.6 m -105.52 119.26 38.66 Favored 'General case' 0 C--N 1.285 -2.233 0 C-N-CA 119.27 -0.972 . . . . 0.0 108.609 175.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -115.24 126.32 54.39 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.705 -176.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.0 m -87.55 121.32 29.83 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.297 0.57 . . . . 0.0 110.934 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.6 t -128.49 144.56 37.54 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.261 -174.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -90.89 81.35 5.71 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 . . . . . 0 CA--C 1.537 0.452 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.343 -179.759 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.94 0 N-CA-C 113.99 0.356 . . . . 0.0 113.99 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 76.5 t -103.25 128.77 55.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 117.35 0.575 . . . . 0.0 111.234 -175.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -116.27 138.92 50.9 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 47.0 m -112.55 143.93 42.89 Favored 'General case' 0 C--N 1.288 -2.102 0 C-N-CA 119.132 -1.027 . . . . 0.0 110.559 -178.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.3 t -127.63 123.21 60.83 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 78.6 m -104.55 142.46 34.6 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 120.639 0.257 . . . . 0.0 110.492 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.404 ' O ' HG23 ' A' ' 11' ' ' VAL . 14.3 tpp180 -149.34 118.62 6.83 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-O 121.024 0.44 . . . . 0.0 111.5 -176.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 55.13 37.21 28.54 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.481 1.512 . . . . 0.0 111.947 174.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.72 -15.09 56.04 Favored Glycine 0 N--CA 1.426 -2.014 0 C-N-CA 120.31 -0.947 . . . . 0.0 114.435 176.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 8' ' ' ARG . 23.3 m -108.83 160.1 7.89 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.033 0 CA-C-N 118.284 1.042 . . . . 0.0 108.863 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.6 m -129.66 124.87 34.7 Favored 'General case' 0 N--CA 1.413 -2.308 0 CA-C-O 121.744 0.783 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -109.24 104.26 13.37 Favored 'General case' 0 C--N 1.288 -2.1 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.582 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 92.5 m -85.86 130.81 34.44 Favored 'General case' 0 N--CA 1.417 -2.078 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 172.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -140.22 130.19 28.68 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 CA-C-O 121.489 0.661 . . . . 0.0 111.173 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -125.77 119.81 28.92 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 . . . . . 0 CA--C 1.55 0.966 0 CA-C-O 122.203 1.001 . . . . 0.0 111.271 177.401 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.804 0 N-CA-C 113.277 0.071 . . . . 0.0 113.277 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 16' ' ' ABA . 61.1 t -111.68 135.72 50.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 O-C-N 122.038 -0.684 . . . . 0.0 109.438 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.405 ' HA ' ' O ' ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -154.88 136.8 14.56 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 58.5 m -104.34 142.73 34.05 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 120.146 -0.621 . . . . 0.0 110.353 176.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.76 144.8 35.74 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.5 m -122.2 139.85 53.28 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 119.859 -0.736 . . . . 0.0 109.75 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -150.05 123.24 8.9 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 64.99 31.37 11.3 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 122.44 1.114 . . . . 0.0 110.126 178.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.59 -4.89 76.63 Favored Glycine 0 N--CA 1.438 -1.188 0 CA-C-N 114.913 -1.039 . . . . 0.0 112.346 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.3 t -103.05 122.65 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.391 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -177.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 82.5 m -96.68 139.87 32.11 Favored 'General case' 0 N--CA 1.412 -2.361 0 CA-C-O 121.882 0.849 . . . . 0.0 109.98 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -129.86 108.39 10.11 Favored 'General case' 0 C--N 1.269 -2.928 0 CA-C-N 114.419 -1.264 . . . . 0.0 107.604 -174.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.2 m -93.62 121.24 34.85 Favored 'General case' 0 CA--C 1.486 -1.5 0 CA-C-O 121.376 0.608 . . . . 0.0 111.751 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 53.0 t -98.98 109.12 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.142 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 178.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . 0.423 ' HA ' ' O ' ' A' ' 2' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -168.4 158.46 9.75 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 114.7 -1.136 . . . . 0.0 108.361 -174.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 . . . . . 0 N--CA 1.473 0.69 0 C-N-CA 124.551 1.14 . . . . 0.0 109.643 -179.582 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.426 0 N-CA-C 113.645 0.218 . . . . 0.0 113.645 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.2 t -95.67 123.26 47.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.0 tpm_? -84.66 110.42 18.73 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.28 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 30.1 m -96.1 137.5 35.08 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 119.122 -1.031 . . . . 0.0 109.213 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.3 p -137.41 141.09 40.63 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.323 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.885 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.3 m -113.78 128.76 56.54 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 174.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -149.96 129.65 13.2 Favored 'General case' 0 C--N 1.281 -2.408 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.435 -176.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 64.84 22.26 12.48 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.085 0.954 . . . . 0.0 110.943 175.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.58 2.5 76.0 Favored Glycine 0 N--CA 1.433 -1.539 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.145 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.9 t -109.03 121.86 62.79 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 89.4 m -101.78 132.44 47.52 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 175.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -145.19 126.95 15.29 Favored 'General case' 0 N--CA 1.42 -1.954 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.549 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 84.3 m -87.37 116.41 25.45 Favored 'General case' 0 N--CA 1.418 -2.027 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 172.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.0 t -114.07 128.93 70.82 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.101 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.345 -176.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -102.14 95.56 6.41 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.086 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 . . . . . 0 C--N 1.318 -0.792 0 CA-C-O 122.397 1.094 . . . . 0.0 109.911 177.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.325 0 N-CA-C 113.392 0.117 . . . . 0.0 113.392 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 93.3 t -89.6 107.04 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.198 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.45 ' HA ' ' O ' ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -154.58 137.96 15.84 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.7 m -98.66 142.21 30.51 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.587 176.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.9 t -129.73 129.87 66.51 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.82 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.2 m -104.42 133.41 49.34 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -160.46 135.74 7.96 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.278 -175.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 62.89 20.6 12.32 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-O 122.278 1.037 . . . . 0.0 111.326 173.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.45 -6.89 65.82 Favored Glycine 0 N--CA 1.43 -1.716 0 CA-C-N 115.536 -0.757 . . . . 0.0 113.779 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.0 m -116.5 154.65 18.07 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.931 0 O-C-N 122.088 -0.654 . . . . 0.0 109.471 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.5 m -119.23 120.43 37.01 Favored 'General case' 0 C--N 1.284 -2.273 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -110.93 125.24 53.47 Favored 'General case' 0 C--N 1.291 -1.938 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 87.8 m -93.81 114.3 26.53 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 119.371 -0.932 . . . . 0.0 111.43 176.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 59.6 t -88.79 121.15 38.61 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 CA-C-N 114.789 -1.096 . . . . 0.0 108.99 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -138.88 124.26 19.32 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 120.8 0.333 . . . . 0.0 111.301 -174.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 . . . . . 0 C--O 1.241 0.617 0 C-N-CA 124.63 1.172 . . . . 0.0 110.95 177.855 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.749 0 CA-C-O 120.173 -0.237 . . . . 0.0 113.017 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 64.1 t -80.99 107.48 13.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.051 0.453 . . . . 0.0 110.69 -175.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -139.26 157.03 46.61 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 177.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 16.7 m -111.28 145.34 38.95 Favored 'General case' 0 C--N 1.283 -2.29 0 C-N-CA 119.716 -0.793 . . . . 0.0 111.384 -174.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.1 t -106.13 115.76 48.48 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.6 m -111.69 129.05 56.23 Favored 'General case' 0 CA--C 1.479 -1.783 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -163.75 141.41 7.32 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.585 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 61.88 21.31 12.18 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-O 122.526 1.155 . . . . 0.0 110.778 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.46 0.71 84.28 Favored Glycine 0 N--CA 1.43 -1.766 0 CA-C-N 115.452 -0.795 . . . . 0.0 113.676 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.6 p -114.5 146.64 18.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.8 m -122.19 145.19 48.44 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.7 ttp85 -138.25 125.28 21.37 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 68.4 m -90.12 122.08 32.76 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 120.854 0.359 . . . . 0.0 111.294 -178.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.8 t -127.88 131.5 69.65 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.255 -176.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -85.01 94.79 8.9 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -175.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 . . . . . 0 CA--C 1.543 0.687 0 CA-C-O 122.419 1.104 . . . . 0.0 109.284 179.893 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.982 0 N-CA-C 113.768 0.267 . . . . 0.0 113.768 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.4 t -112.35 134.61 54.31 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -105.44 118.59 36.96 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.3 m -95.13 144.18 25.97 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.184 -173.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.3 t -110.48 127.31 67.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.6 m -104.66 129.1 52.87 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 174.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -160.33 144.17 13.99 Favored 'General case' 0 C--N 1.285 -2.219 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -174.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 67.65 22.46 9.03 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 121.902 0.858 . . . . 0.0 110.011 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.71 7.87 88.16 Favored Glycine 0 N--CA 1.435 -1.409 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.225 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.5 t -125.96 142.62 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 96.6 m -102.16 136.66 41.6 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 121.13 0.49 . . . . 0.0 110.443 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -136.32 121.1 18.55 Favored 'General case' 0 N--CA 1.428 -1.549 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.556 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.7 m -87.09 125.81 34.37 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 121.403 0.621 . . . . 0.0 111.24 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.1 t -126.76 138.11 55.79 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 -87.66 108.91 19.31 Favored 'General case' 0 N--CA 1.424 -1.744 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.302 -173.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 CA--C 1.544 0.713 0 CA-C-N 114.484 -1.235 . . . . 0.0 110.57 -179.214 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.901 0 CA-C-O 121.145 0.303 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t -92.31 119.59 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.28 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -177.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -127.83 133.55 49.39 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 55.7 m -101.65 143.95 30.97 Favored 'General case' 0 C--N 1.287 -2.124 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.189 177.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.4 p -144.96 150.24 16.22 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.7 m -115.6 137.09 52.42 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.453 0.644 . . . . 0.0 110.128 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -134.96 117.94 16.34 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.668 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 66.9 19.21 10.65 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-O 121.799 0.809 . . . . 0.0 111.295 174.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.59 10.3 67.77 Favored Glycine 0 N--CA 1.434 -1.485 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 -177.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.8 t -111.46 123.63 67.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.5 m -103.4 129.89 50.6 Favored 'General case' 0 C--N 1.28 -2.44 0 CA-C-O 121.312 0.577 . . . . 0.0 110.239 -176.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -128.35 126.28 40.4 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.572 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 99.8 m -90.91 121.12 32.48 Favored 'General case' 0 N--CA 1.414 -2.264 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 173.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.6 p -121.83 122.2 66.23 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.36 0 CA-C-O 121.635 0.731 . . . . 0.0 111.916 -174.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -118.24 128.88 55.11 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 . . . . . 0 N--CA 1.477 0.911 0 CA-C-O 122.809 1.29 . . . . 0.0 109.296 -177.16 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.94 0 N-CA-C 113.423 0.129 . . . . 0.0 113.423 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 99.6 t -110.76 119.32 59.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.439 ' HA ' ' HA ' ' A' ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -112.35 143.49 43.36 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 -178.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 37.6 m -101.01 143.56 31.0 Favored 'General case' 0 C--N 1.285 -2.207 0 C-N-CA 119.291 -0.963 . . . . 0.0 109.377 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.03 137.44 57.17 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.165 0 CA-C-N 115.279 -0.873 . . . . 0.0 108.756 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.5 m -104.49 136.2 44.48 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.664 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -146.7 118.91 8.3 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 114.801 -1.09 . . . . 0.0 108.306 -177.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 60.96 34.4 19.44 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.49 1.116 . . . . 0.0 110.691 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.65 2.88 82.28 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.299 -0.864 . . . . 0.0 113.179 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.0 t -105.14 129.23 58.2 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.255 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.5 m -107.78 118.78 37.65 Favored 'General case' 0 N--CA 1.415 -2.218 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.558 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -106.71 127.94 53.79 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 114.229 -1.351 . . . . 0.0 108.736 -174.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.2 m -98.52 120.21 38.56 Favored 'General case' 0 C--N 1.288 -2.097 0 C-N-CA 119.662 -0.815 . . . . 0.0 110.518 178.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 p -134.48 132.81 54.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.409 -173.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . 0.439 ' HA ' ' HA ' ' A' ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -118.1 124.59 48.43 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.4 ttm105 . . . . . 0 CA--C 1.559 1.317 0 CA-C-O 122.777 1.275 . . . . 0.0 111.578 179.394 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.359 0 N-CA-C 112.6 -0.2 . . . . 0.0 112.6 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t -86.71 111.38 21.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -177.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -122.15 133.99 54.74 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 175.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.8 m -102.36 143.28 32.31 Favored 'General case' 0 C--N 1.285 -2.198 0 C-N-CA 119.288 -0.965 . . . . 0.0 108.977 176.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.2 p -138.76 133.08 41.37 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.096 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.57 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.3 m -108.45 132.8 53.42 Favored 'General case' 0 CA--C 1.488 -1.436 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 174.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -150.75 131.21 13.8 Favored 'General case' 0 C--N 1.273 -2.757 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -178.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.525 ' HA ' ' NE ' ' A' ' 9' ' ' ARG . 1.3 tpm_? 61.16 26.43 16.32 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.901 0.88 . . . . 0.0 111.689 178.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.1 -1.08 82.54 Favored Glycine 0 N--CA 1.435 -1.425 0 CA-C-N 116.008 -0.542 . . . . 0.0 113.629 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.7 p -115.67 143.59 25.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.5 m -120.01 134.82 55.14 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.168 0.508 . . . . 0.0 110.966 -176.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -129.81 128.83 43.13 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.175 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.2 m -97.32 113.46 25.1 Favored 'General case' 0 N--CA 1.418 -2.053 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 173.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.9 p -110.95 122.95 66.37 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.549 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.716 -172.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -95.4 112.01 23.79 Favored 'General case' 0 N--CA 1.416 -2.163 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -173.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 . . . . . 0 CA--C 1.537 0.455 0 CA-C-O 122.525 1.155 . . . . 0.0 109.067 -179.256 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.887 0 N-CA-C 113.994 0.358 . . . . 0.0 113.994 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.9 t -108.75 126.48 65.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 117.634 0.717 . . . . 0.0 110.734 -176.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -111.37 134.11 53.19 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.0 m -96.15 160.59 14.36 Favored 'General case' 0 C--N 1.285 -2.232 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -166.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.9 p -142.07 139.72 30.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.791 176.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.6 m -104.78 136.68 43.83 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.298 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -155.9 134.12 11.48 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.739 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 63.14 22.85 13.62 Favored 'General case' 0 CA--C 1.558 1.273 0 CA-C-O 122.302 1.049 . . . . 0.0 110.966 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.78 3.67 90.39 Favored Glycine 0 N--CA 1.441 -0.987 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.812 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.0 t -108.16 123.1 63.48 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.761 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 99.0 m -96.46 119.25 34.61 Favored 'General case' 0 N--CA 1.414 -2.243 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 177.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -115.89 119.34 35.65 Favored 'General case' 0 N--CA 1.417 -2.121 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.248 -172.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.8 m -90.72 121.18 32.39 Favored 'General case' 0 N--CA 1.415 -2.193 0 CA-C-O 121.22 0.533 . . . . 0.0 109.66 176.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.8 t -118.45 128.07 75.44 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.981 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.13 -175.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -120.06 121.86 39.81 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.246 -175.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 . . . . . 0 C--N 1.317 -0.835 0 CA-C-N 113.944 -1.48 . . . . 0.0 109.509 -175.449 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.48 0 N-CA-C 113.282 0.073 . . . . 0.0 113.282 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.7 t -96.32 126.5 48.95 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -106.58 133.94 50.49 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 13.3 m -103.07 134.98 45.59 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 118.878 -1.129 . . . . 0.0 110.357 -178.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.9 t -112.31 128.23 69.06 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.437 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.4 m -103.69 129.79 51.09 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.277 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -144.86 121.24 10.96 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.611 -176.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? 61.65 33.95 17.87 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.44 1.114 . . . . 0.0 110.47 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.73 -0.22 89.62 Favored Glycine 0 N--CA 1.436 -1.304 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.824 178.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.8 t -105.54 122.6 59.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 100.0 m -100.49 119.72 38.92 Favored 'General case' 0 C--N 1.285 -2.23 0 CA-C-O 121.61 0.719 . . . . 0.0 109.111 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -115.58 123.71 49.14 Favored 'General case' 0 C--N 1.288 -2.098 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.554 -175.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.8 m -92.1 119.46 31.79 Favored 'General case' 0 N--CA 1.424 -1.773 0 CA-C-O 121.469 0.652 . . . . 0.0 110.368 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.7 t -119.09 139.88 44.94 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.428 -175.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -90.98 98.64 11.9 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -177.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 . . . . . 0 CA--C 1.542 0.652 0 C-N-CA 124.102 0.961 . . . . 0.0 110.497 178.24 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.036 0 N-CA-C 114.307 0.483 . . . . 0.0 114.307 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t -94.52 122.59 46.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 117.327 0.564 . . . . 0.0 110.073 -176.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -135.08 143.69 46.79 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 -178.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 21.0 m -102.28 143.86 31.52 Favored 'General case' 0 C--N 1.295 -1.803 0 C-N-CA 119.133 -1.027 . . . . 0.0 111.161 -175.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.5 t -119.77 129.83 74.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.6 m -105.11 129.41 53.53 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 120.213 -0.595 . . . . 0.0 109.989 177.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -148.15 131.68 16.75 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.982 -175.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 60.69 17.82 7.92 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.429 1.092 . . . . 0.0 113.218 173.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.28 14.31 45.38 Favored Glycine 0 N--CA 1.422 -2.258 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.078 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.4 p -134.27 144.29 35.68 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 175.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.8 m -112.2 121.63 45.47 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-O 121.701 0.762 . . . . 0.0 109.626 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -108.08 115.66 30.54 Favored 'General case' 0 C--N 1.28 -2.414 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.934 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.5 m -85.97 123.36 31.21 Favored 'General case' 0 C--N 1.287 -2.148 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 175.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 p -133.86 146.14 32.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.887 -173.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -112.75 120.48 41.64 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.291 -177.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 . . . . . 0 C--O 1.238 0.457 0 CA-C-N 114.064 -1.426 . . . . 0.0 109.468 -175.69 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.343 0 N-CA-C 112.749 -0.141 . . . . 0.0 112.749 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.1 t -104.65 138.46 29.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -174.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -92.34 146.15 23.92 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 17.6 m -107.42 130.56 54.8 Favored 'General case' 0 C--N 1.279 -2.458 0 C-N-CA 118.792 -1.163 . . . . 0.0 109.985 -179.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.4 p -110.01 138.58 37.06 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.514 0 CA-C-N 114.51 -1.223 . . . . 0.0 108.71 -178.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.1 m -121.44 136.89 54.91 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.249 0.547 . . . . 0.0 110.693 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -138.28 120.27 15.51 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 115.406 -0.816 . . . . 0.0 108.87 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 61.5 15.42 6.69 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.2 1.4 . . . . 0.0 111.771 -177.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.87 -0.56 59.25 Favored Glycine 0 N--CA 1.429 -1.826 0 O-C-N 121.762 -0.586 . . . . 0.0 112.447 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.5 t -100.75 123.98 54.06 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.1 m -113.48 150.94 32.13 Favored 'General case' 0 C--N 1.285 -2.236 0 CA-C-O 121.222 0.534 . . . . 0.0 111.079 -172.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -141.32 131.24 24.46 Favored 'General case' 0 N--CA 1.414 -2.265 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.603 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 82.4 m -94.35 116.74 29.16 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 176.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.82 135.59 63.25 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.33 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.116 -173.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.2 mtt-85 -111.67 133.92 53.59 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.24 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 . . . . . 0 CA--C 1.541 0.61 0 CA-C-O 122.883 1.325 . . . . 0.0 108.551 -175.874 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.668 0 CA-C-O 120.689 0.049 . . . . 0.0 113.089 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.8 t -98.82 121.04 48.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -177.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -119.2 136.95 53.95 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -176.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 13.7 m -100.23 133.68 44.28 Favored 'General case' 0 N--CA 1.424 -1.738 0 C-N-CA 119.484 -0.886 . . . . 0.0 110.573 -178.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -106.48 129.28 60.14 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 CA-C-N 114.312 -1.313 . . . . 0.0 107.737 -177.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.3 m -113.87 140.39 48.39 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.652 -176.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -166.11 141.27 4.66 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.686 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 58.73 31.13 20.86 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.277 1.031 . . . . 0.0 111.91 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.57 3.6 83.82 Favored Glycine 0 N--CA 1.431 -1.67 0 CA-C-N 115.836 -0.62 . . . . 0.0 113.937 176.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.6 m -126.66 160.4 34.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 117.717 0.759 . . . . 0.0 109.646 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.5 m -132.19 130.62 41.28 Favored 'General case' 0 N--CA 1.418 -2.035 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -111.08 124.81 52.93 Favored 'General case' 0 C--N 1.288 -2.075 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 78.4 m -88.29 118.4 27.87 Favored 'General case' 0 N--CA 1.425 -1.676 0 CA-C-O 121.58 0.705 . . . . 0.0 110.345 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.5 t -110.63 139.58 33.63 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.923 0 CA-C-N 114.415 -1.266 . . . . 0.0 110.061 -173.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -79.41 82.78 5.51 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 113.733 -1.576 . . . . 0.0 108.485 -170.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 . . . . . 0 C--N 1.32 -0.689 0 C-N-CA 124.922 1.289 . . . . 0.0 110.954 179.562 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.079 0 CA-C-O 119.758 -0.468 . . . . 0.0 113.888 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.3 m -95.3 134.67 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.502 0 CA-C-N 118.151 0.975 . . . . 0.0 111.836 -177.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -83.19 113.59 20.76 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 55.6 m -100.48 137.83 38.36 Favored 'General case' 0 C--N 1.281 -2.374 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.762 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -124.72 136.06 61.94 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.398 0 CA-C-N 114.658 -1.156 . . . . 0.0 107.964 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.6 m -125.13 131.18 53.31 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -144.38 128.65 17.79 Favored 'General case' 0 C--N 1.287 -2.111 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.843 -175.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 59.95 27.24 16.59 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.382 1.073 . . . . 0.0 110.986 178.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.99 5.17 83.78 Favored Glycine 0 N--CA 1.44 -1.1 0 C-N-CA 120.997 -0.621 . . . . 0.0 113.094 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.5 t -110.93 137.01 45.2 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.3 m -116.81 146.94 42.54 Favored 'General case' 0 C--N 1.293 -1.859 0 C-N-CA 119.935 -0.706 . . . . 0.0 111.247 -178.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -142.53 119.66 11.43 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.424 178.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 95.0 m -91.75 120.39 32.44 Favored 'General case' 0 N--CA 1.428 -1.556 0 CA-C-O 121.09 0.471 . . . . 0.0 110.229 174.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -118.33 118.51 58.28 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.892 0 CA-C-O 121.603 0.716 . . . . 0.0 111.785 -178.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -125.82 119.72 28.62 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 -178.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 . . . . . 0 C--O 1.246 0.873 0 CA-C-O 122.578 1.18 . . . . 0.0 109.885 177.535 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.992 0 CA-C-O 119.854 -0.414 . . . . 0.0 113.884 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p -105.54 130.34 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-N 117.916 0.858 . . . . 0.0 110.581 -177.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -109.36 132.44 54.12 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 -178.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 21.8 m -96.05 134.78 38.68 Favored 'General case' 0 C--N 1.286 -2.182 0 C-N-CA 118.389 -1.324 . . . . 0.0 109.07 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.0 t -125.74 134.05 67.59 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.254 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.717 -175.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.9 m -104.45 127.14 52.08 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 172.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -167.87 149.37 5.37 Favored 'General case' 0 C--N 1.29 -2.008 0 CA-C-N 114.798 -1.092 . . . . 0.0 108.218 -173.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? 66.4 15.63 10.16 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 122.066 0.936 . . . . 0.0 110.283 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.46 -4.49 76.7 Favored Glycine 0 N--CA 1.425 -2.087 0 CA-C-N 115.102 -0.953 . . . . 0.0 113.486 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.7 m -127.78 169.35 19.33 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-N 117.753 0.776 . . . . 0.0 110.194 -176.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.0 m -121.64 135.6 54.97 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -133.61 135.51 44.26 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.917 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 70.8 m -91.32 117.95 30.09 Favored 'General case' 0 N--CA 1.417 -2.078 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 173.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.4 p -133.81 136.26 54.21 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.586 -173.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -103.31 127.36 50.67 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 . . . . . 0 CA--C 1.545 0.767 0 CA-C-O 123.068 1.414 . . . . 0.0 109.512 -178.433 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.592 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.7 t -118.78 128.55 75.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -109.32 145.73 35.51 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 18.1 m -101.8 139.59 37.23 Favored 'General case' 0 C--N 1.283 -2.298 0 CA-C-O 121.669 0.747 . . . . 0.0 111.312 -173.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.0 t -120.56 156.06 23.75 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.1 m -131.96 141.36 49.28 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -147.56 123.76 10.84 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 55.52 36.53 27.33 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.55 1.14 . . . . 0.0 110.932 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.85 -8.32 70.26 Favored Glycine 0 N--CA 1.435 -1.422 0 CA-C-N 115.673 -0.694 . . . . 0.0 113.643 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.3 t -100.58 128.14 52.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -179.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.7 m -107.55 144.94 33.84 Favored 'General case' 0 C--N 1.29 -1.997 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.835 -176.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -140.32 132.75 28.49 Favored 'General case' 0 N--CA 1.417 -2.086 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.28 -175.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 77.4 m -97.97 114.07 26.09 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 121.558 0.694 . . . . 0.0 110.365 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 t -121.25 141.1 43.2 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.229 -171.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -131.16 131.84 44.35 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 72.0 ttt180 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 122.945 1.355 . . . . 0.0 109.766 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.31 0 CA-C-O 120.16 -0.244 . . . . 0.0 113.175 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 C--N 1.324 -0.509 0 C-N-CA 118.878 -1.129 . . . . 0.0 110.767 -178.91 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.429 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 4.6 mmp_? . . . . . 0 CA--C 1.495 -1.17 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 32.0 m -104.56 130.25 52.55 Favored 'General case' 0 C--N 1.282 -2.356 0 C-N-CA 118.972 -1.091 . . . . 0.0 109.41 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.8 t -119.24 127.78 75.84 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.635 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.198 -175.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 85.2 m -104.83 134.1 48.53 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -150.06 112.95 4.81 Favored 'General case' 0 C--N 1.287 -2.148 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.251 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 49.45 54.38 11.08 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 125.9 1.68 . . . . 0.0 112.133 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.78 -12.35 65.93 Favored Glycine 0 N--CA 1.429 -1.786 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.476 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 66.3 t -105.32 121.69 57.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 117.78 0.79 . . . . 0.0 109.008 -178.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 96.6 m -108.77 120.29 42.06 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 176.078 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -125.05 120.43 31.46 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.359 -173.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 93.8 m -86.42 120.53 27.85 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 170.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 C--N 1.294 -1.815 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.024 -174.448 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.446 ' HE ' ' HA ' ' A' ' 17' ' ' ARG . 1.2 mmp_? . . . . . 0 N--CA 1.43 -1.468 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 . . . . . 0 N--CA 1.472 0.627 0 C-N-CA 125.058 1.343 . . . . 0.0 111.404 178.102 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.874 0 CA-C-O 120.682 0.045 . . . . 0.0 113.013 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.6 t . . . . . 0 N--CA 1.44 -0.927 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.51 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 . . . . . 0 N--CA 1.435 -1.222 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 18.3 m -104.58 139.21 39.79 Favored 'General case' 0 C--N 1.284 -2.261 0 C-N-CA 118.989 -1.085 . . . . 0.0 110.901 -176.15 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.4 t -122.68 129.02 75.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 59.2 m -104.98 131.48 52.44 Favored 'General case' 0 C--N 1.293 -1.87 0 C-N-CA 119.784 -0.766 . . . . 0.0 110.372 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -161.16 145.82 13.66 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 115.012 -0.994 . . . . 0.0 108.918 -175.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 60.84 29.13 18.82 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 125.274 1.43 . . . . 0.0 110.383 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 7.66 87.1 Favored Glycine 0 N--CA 1.436 -1.321 0 CA-C-N 115.152 -0.931 . . . . 0.0 114.001 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.0 m -125.82 166.38 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 117.889 0.845 . . . . 0.0 108.936 178.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 77.5 m -123.58 123.65 41.06 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -178.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -111.82 129.06 56.27 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.381 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.3 m -96.09 114.53 26.25 Favored 'General case' 0 N--CA 1.42 -1.974 0 CA-C-O 121.876 0.846 . . . . 0.0 110.009 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.298 -1.67 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.443 -171.453 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 . . . . . 0 N--CA 1.437 -1.12 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 . . . . . 0 CA--C 1.541 0.597 0 CA-C-O 122.221 1.01 . . . . 0.0 110.059 179.612 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.517 0 N-CA-C 112.652 -0.179 . . . . 0.0 112.652 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.4 t . . . . . 0 C--N 1.318 -0.765 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.662 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 . . . . . 0 N--CA 1.417 -2.088 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 6.5 m -100.59 134.96 42.78 Favored 'General case' 0 C--N 1.28 -2.423 0 C-N-CA 119.404 -0.918 . . . . 0.0 110.871 -173.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.9 t -106.8 126.68 62.72 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.069 0 CA-C-N 114.37 -1.286 . . . . 0.0 108.011 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 84.5 m -103.93 129.9 51.5 Favored 'General case' 0 N--CA 1.421 -1.879 0 CA-C-O 121.234 0.54 . . . . 0.0 110.253 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -149.04 122.3 8.97 Favored 'General case' 0 C--N 1.283 -2.315 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.515 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 58.88 41.09 21.89 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 124.475 1.11 . . . . 0.0 110.681 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.59 -3.49 73.79 Favored Glycine 0 N--CA 1.438 -1.213 0 CA-C-N 114.96 -1.018 . . . . 0.0 113.538 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.4 t -103.65 122.64 56.55 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.186 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 73.6 m -105.52 119.26 38.66 Favored 'General case' 0 C--N 1.285 -2.233 0 C-N-CA 119.27 -0.972 . . . . 0.0 108.609 175.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -115.24 126.32 54.39 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.705 -176.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.0 m -87.55 121.32 29.83 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.297 0.57 . . . . 0.0 110.934 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.6 t . . . . . 0 C--N 1.31 -1.15 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.261 -174.566 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 . . . . . 0 N--CA 1.438 -1.032 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 . . . . . 0 CA--C 1.537 0.452 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.343 -179.759 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.94 0 N-CA-C 113.99 0.356 . . . . 0.0 113.99 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 C--N 1.317 -0.847 0 CA-C-N 117.35 0.575 . . . . 0.0 111.234 -175.061 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 . . . . . 0 N--CA 1.435 -1.2 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 47.0 m -112.55 143.93 42.89 Favored 'General case' 0 C--N 1.288 -2.102 0 C-N-CA 119.132 -1.027 . . . . 0.0 110.559 -178.391 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.3 t -127.63 123.21 60.83 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 78.6 m -104.55 142.46 34.6 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 120.639 0.257 . . . . 0.0 110.492 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -149.34 118.62 6.83 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-O 121.024 0.44 . . . . 0.0 111.5 -176.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 55.13 37.21 28.54 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.481 1.512 . . . . 0.0 111.947 174.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.72 -15.09 56.04 Favored Glycine 0 N--CA 1.426 -2.014 0 C-N-CA 120.31 -0.947 . . . . 0.0 114.435 176.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.3 m -108.83 160.1 7.89 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.033 0 CA-C-N 118.284 1.042 . . . . 0.0 108.863 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 86.6 m -129.66 124.87 34.7 Favored 'General case' 0 N--CA 1.413 -2.308 0 CA-C-O 121.744 0.783 . . . . 0.0 110.848 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -109.24 104.26 13.37 Favored 'General case' 0 C--N 1.288 -2.1 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.582 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 92.5 m -85.86 130.81 34.44 Favored 'General case' 0 N--CA 1.417 -2.078 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 172.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.295 -1.772 0 CA-C-O 121.489 0.661 . . . . 0.0 111.173 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 . . . . . 0 N--CA 1.423 -1.808 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 . . . . . 0 CA--C 1.55 0.966 0 CA-C-O 122.203 1.001 . . . . 0.0 111.271 177.401 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.804 0 N-CA-C 113.277 0.071 . . . . 0.0 113.277 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.317 -0.847 0 O-C-N 122.038 -0.684 . . . . 0.0 109.438 -178.654 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 . . . . . 0 N--CA 1.446 -0.656 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.5 m -104.34 142.73 34.05 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 120.146 -0.621 . . . . 0.0 110.353 176.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.76 144.8 35.74 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 61.5 m -122.2 139.85 53.28 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 119.859 -0.736 . . . . 0.0 109.75 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -150.05 123.24 8.9 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 64.99 31.37 11.3 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 122.44 1.114 . . . . 0.0 110.126 178.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.59 -4.89 76.63 Favored Glycine 0 N--CA 1.438 -1.188 0 CA-C-N 114.913 -1.039 . . . . 0.0 112.346 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.3 t -103.05 122.65 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.391 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -177.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 82.5 m -96.68 139.87 32.11 Favored 'General case' 0 N--CA 1.412 -2.361 0 CA-C-O 121.882 0.849 . . . . 0.0 109.98 -178.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -129.86 108.39 10.11 Favored 'General case' 0 C--N 1.269 -2.928 0 CA-C-N 114.419 -1.264 . . . . 0.0 107.604 -174.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 86.2 m -93.62 121.24 34.85 Favored 'General case' 0 CA--C 1.486 -1.5 0 CA-C-O 121.376 0.608 . . . . 0.0 111.751 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.0 t . . . . . 0 N--CA 1.416 -2.142 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 178.424 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 . . . . . 0 N--CA 1.434 -1.241 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 . . . . . 0 N--CA 1.473 0.69 0 C-N-CA 124.551 1.14 . . . . 0.0 109.643 -179.582 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.426 0 N-CA-C 113.645 0.218 . . . . 0.0 113.645 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.2 t . . . . . 0 C--N 1.317 -0.82 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.22 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.0 tpm_? . . . . . 0 N--CA 1.443 -0.821 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 30.1 m -96.1 137.5 35.08 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 119.122 -1.031 . . . . 0.0 109.213 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.3 p -137.41 141.09 40.63 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.323 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.885 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 81.3 m -113.78 128.76 56.54 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 174.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -149.96 129.65 13.2 Favored 'General case' 0 C--N 1.281 -2.408 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.435 -176.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 64.84 22.26 12.48 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.085 0.954 . . . . 0.0 110.943 175.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.58 2.5 76.0 Favored Glycine 0 N--CA 1.433 -1.539 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.145 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.9 t -109.03 121.86 62.79 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 89.4 m -101.78 132.44 47.52 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 175.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -145.19 126.95 15.29 Favored 'General case' 0 N--CA 1.42 -1.954 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.549 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 84.3 m -87.37 116.41 25.45 Favored 'General case' 0 N--CA 1.418 -2.027 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 172.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.0 t . . . . . 0 C--N 1.288 -2.101 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.345 -176.21 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 . . . . . 0 N--CA 1.428 -1.545 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 . . . . . 0 C--N 1.318 -0.792 0 CA-C-O 122.397 1.094 . . . . 0.0 109.911 177.988 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.325 0 N-CA-C 113.392 0.117 . . . . 0.0 113.392 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 N--CA 1.435 -1.198 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.51 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 . . . . . 0 N--CA 1.446 -0.635 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.7 m -98.66 142.21 30.51 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.587 176.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.9 t -129.73 129.87 66.51 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.82 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 81.2 m -104.42 133.41 49.34 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -160.46 135.74 7.96 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.278 -175.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 62.89 20.6 12.32 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-O 122.278 1.037 . . . . 0.0 111.326 173.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.45 -6.89 65.82 Favored Glycine 0 N--CA 1.43 -1.716 0 CA-C-N 115.536 -0.757 . . . . 0.0 113.779 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.0 m -116.5 154.65 18.07 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.931 0 O-C-N 122.088 -0.654 . . . . 0.0 109.471 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 83.5 m -119.23 120.43 37.01 Favored 'General case' 0 C--N 1.284 -2.273 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -110.93 125.24 53.47 Favored 'General case' 0 C--N 1.291 -1.938 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 87.8 m -93.81 114.3 26.53 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 119.371 -0.932 . . . . 0.0 111.43 176.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 C--N 1.296 -1.718 0 CA-C-N 114.789 -1.096 . . . . 0.0 108.99 -177.034 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 . . . . . 0 C--O 1.242 0.699 0 CA-C-O 120.8 0.333 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 . . . . . 0 C--O 1.241 0.617 0 C-N-CA 124.63 1.172 . . . . 0.0 110.95 177.855 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.749 0 CA-C-O 120.173 -0.237 . . . . 0.0 113.017 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 64.1 t . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 121.051 0.453 . . . . 0.0 110.69 -175.801 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 . . . . . 0 N--CA 1.444 -0.767 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 16.7 m -111.28 145.34 38.95 Favored 'General case' 0 C--N 1.283 -2.29 0 C-N-CA 119.716 -0.793 . . . . 0.0 111.384 -174.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.1 t -106.13 115.76 48.48 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.6 m -111.69 129.05 56.23 Favored 'General case' 0 CA--C 1.479 -1.783 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -163.75 141.41 7.32 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.585 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 61.88 21.31 12.18 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-O 122.526 1.155 . . . . 0.0 110.778 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.46 0.71 84.28 Favored Glycine 0 N--CA 1.43 -1.766 0 CA-C-N 115.452 -0.795 . . . . 0.0 113.676 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.6 p -114.5 146.64 18.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.8 m -122.19 145.19 48.44 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.7 ttp85 -138.25 125.28 21.37 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 68.4 m -90.12 122.08 32.76 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 120.854 0.359 . . . . 0.0 111.294 -178.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.8 t . . . . . 0 C--N 1.31 -1.128 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.255 -176.851 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 . . . . . 0 N--CA 1.436 -1.145 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 . . . . . 0 CA--C 1.543 0.687 0 CA-C-O 122.419 1.104 . . . . 0.0 109.284 179.893 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.982 0 N-CA-C 113.768 0.267 . . . . 0.0 113.768 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.4 t . . . . . 0 C--N 1.316 -0.865 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -178.641 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 . . . . . 0 N--CA 1.44 -0.927 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.3 m -95.13 144.18 25.97 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.184 -173.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.3 t -110.48 127.31 67.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 62.6 m -104.66 129.1 52.87 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 174.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -160.33 144.17 13.99 Favored 'General case' 0 C--N 1.285 -2.219 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -174.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 67.65 22.46 9.03 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 121.902 0.858 . . . . 0.0 110.011 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.71 7.87 88.16 Favored Glycine 0 N--CA 1.435 -1.409 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.225 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.5 t -125.96 142.62 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 96.6 m -102.16 136.66 41.6 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 121.13 0.49 . . . . 0.0 110.443 176.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -136.32 121.1 18.55 Favored 'General case' 0 N--CA 1.428 -1.549 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.556 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.7 m -87.09 125.81 34.37 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 121.403 0.621 . . . . 0.0 111.24 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.1 t . . . . . 0 C--N 1.297 -1.704 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 179.536 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 . . . . . 0 N--CA 1.424 -1.744 0 CA-C-O 121.141 0.496 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 CA--C 1.544 0.713 0 CA-C-N 114.484 -1.235 . . . . 0.0 110.57 -179.214 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.901 0 CA-C-O 121.145 0.303 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.433 -1.28 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -177.258 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 . . . . . 0 N--CA 1.434 -1.251 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 55.7 m -101.65 143.95 30.97 Favored 'General case' 0 C--N 1.287 -2.124 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.189 177.029 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.4 p -144.96 150.24 16.22 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 60.7 m -115.6 137.09 52.42 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.453 0.644 . . . . 0.0 110.128 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -134.96 117.94 16.34 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.668 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 66.9 19.21 10.65 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-O 121.799 0.809 . . . . 0.0 111.295 174.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.59 10.3 67.77 Favored Glycine 0 N--CA 1.434 -1.485 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 -177.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.8 t -111.46 123.63 67.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 78.5 m -103.4 129.89 50.6 Favored 'General case' 0 C--N 1.28 -2.44 0 CA-C-O 121.312 0.577 . . . . 0.0 110.239 -176.489 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -128.35 126.28 40.4 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.572 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 99.8 m -90.91 121.12 32.48 Favored 'General case' 0 N--CA 1.414 -2.264 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 173.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 C--N 1.282 -2.36 0 CA-C-O 121.635 0.731 . . . . 0.0 111.916 -174.743 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 . . . . . 0 N--CA 1.432 -1.346 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 . . . . . 0 N--CA 1.477 0.911 0 CA-C-O 122.809 1.29 . . . . 0.0 109.296 -177.16 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.94 0 N-CA-C 113.423 0.129 . . . . 0.0 113.423 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 99.6 t . . . . . 0 C--N 1.316 -0.868 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 179.433 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 . . . . . 0 N--CA 1.431 -1.404 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 37.6 m -101.01 143.56 31.0 Favored 'General case' 0 C--N 1.285 -2.207 0 C-N-CA 119.291 -0.963 . . . . 0.0 109.377 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.03 137.44 57.17 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.165 0 CA-C-N 115.279 -0.873 . . . . 0.0 108.756 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 60.5 m -104.49 136.2 44.48 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.664 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -146.7 118.91 8.3 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 114.801 -1.09 . . . . 0.0 108.306 -177.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 60.96 34.4 19.44 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.49 1.116 . . . . 0.0 110.691 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.65 2.88 82.28 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.299 -0.864 . . . . 0.0 113.179 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.0 t -105.14 129.23 58.2 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.255 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 85.5 m -107.78 118.78 37.65 Favored 'General case' 0 N--CA 1.415 -2.218 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.558 -178.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -106.71 127.94 53.79 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 114.229 -1.351 . . . . 0.0 108.736 -174.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.2 m -98.52 120.21 38.56 Favored 'General case' 0 C--N 1.288 -2.097 0 C-N-CA 119.662 -0.815 . . . . 0.0 110.518 178.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.3 -1.555 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.409 -173.909 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 . . . . . 0 N--CA 1.436 -1.129 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.4 ttm105 . . . . . 0 CA--C 1.559 1.317 0 CA-C-O 122.777 1.275 . . . . 0.0 111.578 179.394 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.359 0 N-CA-C 112.6 -0.2 . . . . 0.0 112.6 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.32 -0.705 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -177.21 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 . . . . . 0 N--CA 1.436 -1.131 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.8 m -102.36 143.28 32.31 Favored 'General case' 0 C--N 1.285 -2.198 0 C-N-CA 119.288 -0.965 . . . . 0.0 108.977 176.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.2 p -138.76 133.08 41.37 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.096 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.57 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 75.3 m -108.45 132.8 53.42 Favored 'General case' 0 CA--C 1.488 -1.436 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 174.376 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -150.75 131.21 13.8 Favored 'General case' 0 C--N 1.273 -2.757 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -178.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.555 ' HA ' ' NE ' ' A' ' 9' ' ' ARG . 1.3 tpm_? 61.16 26.43 16.32 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.901 0.88 . . . . 0.0 111.689 178.158 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.1 -1.08 82.54 Favored Glycine 0 N--CA 1.435 -1.425 0 CA-C-N 116.008 -0.542 . . . . 0.0 113.629 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.7 p -115.67 143.59 25.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 79.5 m -120.01 134.82 55.14 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.168 0.508 . . . . 0.0 110.966 -176.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -129.81 128.83 43.13 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.175 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.2 m -97.32 113.46 25.1 Favored 'General case' 0 N--CA 1.418 -2.053 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 173.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.277 -2.549 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.716 -172.687 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HD2' ' HA ' ' A' ' 17' ' ' ARG . 15.9 tpt180 . . . . . 0 N--CA 1.416 -2.163 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 . . . . . 0 CA--C 1.537 0.455 0 CA-C-O 122.525 1.155 . . . . 0.0 109.067 -179.256 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.887 0 N-CA-C 113.994 0.358 . . . . 0.0 113.994 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.9 t . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 117.634 0.717 . . . . 0.0 110.734 -176.19 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 . . . . . 0 N--CA 1.429 -1.479 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.0 m -96.15 160.59 14.36 Favored 'General case' 0 C--N 1.285 -2.232 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -166.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.9 p -142.07 139.72 30.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.791 176.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 64.6 m -104.78 136.68 43.83 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.298 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -155.9 134.12 11.48 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.739 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 63.14 22.85 13.62 Favored 'General case' 0 CA--C 1.558 1.273 0 CA-C-O 122.302 1.049 . . . . 0.0 110.966 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.78 3.67 90.39 Favored Glycine 0 N--CA 1.441 -0.987 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.812 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.0 t -108.16 123.1 63.48 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.761 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 99.0 m -96.46 119.25 34.61 Favored 'General case' 0 N--CA 1.414 -2.243 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 177.282 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -115.89 119.34 35.65 Favored 'General case' 0 N--CA 1.417 -2.121 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.248 -172.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.8 m -90.72 121.18 32.39 Favored 'General case' 0 N--CA 1.415 -2.193 0 CA-C-O 121.22 0.533 . . . . 0.0 109.66 176.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 C--N 1.29 -1.981 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.13 -175.001 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 . . . . . 0 N--CA 1.42 -1.936 0 CA-C-O 121.495 0.664 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.4 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 27.0 tpt180 . . . . . 0 C--N 1.317 -0.835 0 CA-C-N 113.944 -1.48 . . . . 0.0 109.509 -175.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.48 0 N-CA-C 113.282 0.073 . . . . 0.0 113.282 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.7 t . . . . . 0 C--N 1.312 -1.052 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -178.879 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 . . . . . 0 N--CA 1.435 -1.178 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 13.3 m -103.07 134.98 45.59 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 118.878 -1.129 . . . . 0.0 110.357 -178.393 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.9 t -112.31 128.23 69.06 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.437 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 60.4 m -103.69 129.79 51.09 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.277 178.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -144.86 121.24 10.96 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.611 -176.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.42 ' HA ' ' NE ' ' A' ' 9' ' ' ARG . 5.0 tpm_? 61.65 33.95 17.87 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.44 1.114 . . . . 0.0 110.47 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.73 -0.22 89.62 Favored Glycine 0 N--CA 1.436 -1.304 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.824 178.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.8 t -105.54 122.6 59.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 100.0 m -100.49 119.72 38.92 Favored 'General case' 0 C--N 1.285 -2.23 0 CA-C-O 121.61 0.719 . . . . 0.0 109.111 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -115.58 123.71 49.14 Favored 'General case' 0 C--N 1.288 -2.098 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.554 -175.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.8 m -92.1 119.46 31.79 Favored 'General case' 0 N--CA 1.424 -1.773 0 CA-C-O 121.469 0.652 . . . . 0.0 110.368 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.7 t . . . . . 0 C--N 1.295 -1.782 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.428 -175.226 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 . . . . . 0 N--CA 1.426 -1.646 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 . . . . . 0 CA--C 1.542 0.652 0 C-N-CA 124.102 0.961 . . . . 0.0 110.497 178.24 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.036 0 N-CA-C 114.307 0.483 . . . . 0.0 114.307 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 C--N 1.313 -1.008 0 CA-C-N 117.327 0.564 . . . . 0.0 110.073 -176.816 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 . . . . . 0 N--CA 1.429 -1.489 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 21.0 m -102.28 143.86 31.52 Favored 'General case' 0 C--N 1.295 -1.803 0 C-N-CA 119.133 -1.027 . . . . 0.0 111.161 -175.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.5 t -119.77 129.83 74.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 63.6 m -105.11 129.41 53.53 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 120.213 -0.595 . . . . 0.0 109.989 177.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -148.15 131.68 16.75 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.982 -175.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 60.69 17.82 7.92 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.429 1.092 . . . . 0.0 113.218 173.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.28 14.31 45.38 Favored Glycine 0 N--CA 1.422 -2.258 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.078 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.4 p -134.27 144.29 35.68 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 175.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 77.8 m -112.2 121.63 45.47 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-O 121.701 0.762 . . . . 0.0 109.626 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -108.08 115.66 30.54 Favored 'General case' 0 C--N 1.28 -2.414 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.934 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.5 m -85.97 123.36 31.21 Favored 'General case' 0 C--N 1.287 -2.148 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 175.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 C--N 1.296 -1.76 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.887 -173.94 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 N--CA 1.437 -1.086 0 CA-C-O 121.219 0.533 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 . . . . . 0 C--O 1.238 0.457 0 CA-C-N 114.064 -1.426 . . . . 0.0 109.468 -175.69 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.343 0 N-CA-C 112.749 -0.141 . . . . 0.0 112.749 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.1 t . . . . . 0 C--N 1.315 -0.894 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -174.355 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 . . . . . 0 CA--C 1.502 -0.882 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 17.6 m -107.42 130.56 54.8 Favored 'General case' 0 C--N 1.279 -2.458 0 C-N-CA 118.792 -1.163 . . . . 0.0 109.985 -179.156 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.4 p -110.01 138.58 37.06 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.514 0 CA-C-N 114.51 -1.223 . . . . 0.0 108.71 -178.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.1 m -121.44 136.89 54.91 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.249 0.547 . . . . 0.0 110.693 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -138.28 120.27 15.51 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 115.406 -0.816 . . . . 0.0 108.87 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 61.5 15.42 6.69 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.2 1.4 . . . . 0.0 111.771 -177.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.87 -0.56 59.25 Favored Glycine 0 N--CA 1.429 -1.826 0 O-C-N 121.762 -0.586 . . . . 0.0 112.447 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.5 t -100.75 123.98 54.06 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.1 m -113.48 150.94 32.13 Favored 'General case' 0 C--N 1.285 -2.236 0 CA-C-O 121.222 0.534 . . . . 0.0 111.079 -172.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -141.32 131.24 24.46 Favored 'General case' 0 N--CA 1.414 -2.265 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.603 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 82.4 m -94.35 116.74 29.16 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 176.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.282 -2.33 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.116 -173.666 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.2 mtt-85 . . . . . 0 N--CA 1.429 -1.476 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 . . . . . 0 CA--C 1.541 0.61 0 CA-C-O 122.883 1.325 . . . . 0.0 108.551 -175.874 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.668 0 CA-C-O 120.689 0.049 . . . . 0.0 113.089 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.8 t . . . . . 0 C--N 1.312 -1.044 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -177.319 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 . . . . . 0 N--CA 1.432 -1.358 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 13.7 m -100.23 133.68 44.28 Favored 'General case' 0 N--CA 1.424 -1.738 0 C-N-CA 119.484 -0.886 . . . . 0.0 110.573 -178.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -106.48 129.28 60.14 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 CA-C-N 114.312 -1.313 . . . . 0.0 107.737 -177.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.3 m -113.87 140.39 48.39 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.652 -176.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -166.11 141.27 4.66 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.686 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 58.73 31.13 20.86 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.277 1.031 . . . . 0.0 111.91 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.57 3.6 83.82 Favored Glycine 0 N--CA 1.431 -1.67 0 CA-C-N 115.836 -0.62 . . . . 0.0 113.937 176.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.6 m -126.66 160.4 34.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 117.717 0.759 . . . . 0.0 109.646 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.5 m -132.19 130.62 41.28 Favored 'General case' 0 N--CA 1.418 -2.035 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -111.08 124.81 52.93 Favored 'General case' 0 C--N 1.288 -2.075 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 78.4 m -88.29 118.4 27.87 Favored 'General case' 0 N--CA 1.425 -1.676 0 CA-C-O 121.58 0.705 . . . . 0.0 110.345 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.292 -1.923 0 CA-C-N 114.415 -1.266 . . . . 0.0 110.061 -173.11 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 . . . . . 0 N--CA 1.43 -1.425 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 . . . . . 0 C--N 1.32 -0.689 0 C-N-CA 124.922 1.289 . . . . 0.0 110.954 179.562 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.079 0 CA-C-O 119.758 -0.468 . . . . 0.0 113.888 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.429 -1.502 0 CA-C-N 118.151 0.975 . . . . 0.0 111.836 -177.472 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 . . . . . 0 N--CA 1.436 -1.171 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 55.6 m -100.48 137.83 38.36 Favored 'General case' 0 C--N 1.281 -2.374 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.762 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -124.72 136.06 61.94 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.398 0 CA-C-N 114.658 -1.156 . . . . 0.0 107.964 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.6 m -125.13 131.18 53.31 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -144.38 128.65 17.79 Favored 'General case' 0 C--N 1.287 -2.111 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.843 -175.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 59.95 27.24 16.59 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.382 1.073 . . . . 0.0 110.986 178.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.99 5.17 83.78 Favored Glycine 0 N--CA 1.44 -1.1 0 C-N-CA 120.997 -0.621 . . . . 0.0 113.094 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.5 t -110.93 137.01 45.2 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.3 m -116.81 146.94 42.54 Favored 'General case' 0 C--N 1.293 -1.859 0 C-N-CA 119.935 -0.706 . . . . 0.0 111.247 -178.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -142.53 119.66 11.43 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.424 178.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 95.0 m -91.75 120.39 32.44 Favored 'General case' 0 N--CA 1.428 -1.556 0 CA-C-O 121.09 0.471 . . . . 0.0 110.229 174.416 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.292 -1.892 0 CA-C-O 121.603 0.716 . . . . 0.0 111.785 -178.632 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 . . . . . 0 N--CA 1.435 -1.217 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 . . . . . 0 C--O 1.246 0.873 0 CA-C-O 122.578 1.18 . . . . 0.0 109.885 177.535 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.992 0 CA-C-O 119.854 -0.414 . . . . 0.0 113.884 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p . . . . . 0 N--CA 1.443 -0.814 0 CA-C-N 117.916 0.858 . . . . 0.0 110.581 -177.441 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 . . . . . 0 N--CA 1.414 -2.252 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.52 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 21.8 m -96.05 134.78 38.68 Favored 'General case' 0 C--N 1.286 -2.182 0 C-N-CA 118.389 -1.324 . . . . 0.0 109.07 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.0 t -125.74 134.05 67.59 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.254 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.717 -175.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 67.9 m -104.45 127.14 52.08 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 172.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -167.87 149.37 5.37 Favored 'General case' 0 C--N 1.29 -2.008 0 CA-C-N 114.798 -1.092 . . . . 0.0 108.218 -173.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? 66.4 15.63 10.16 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 122.066 0.936 . . . . 0.0 110.283 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.46 -4.49 76.7 Favored Glycine 0 N--CA 1.425 -2.087 0 CA-C-N 115.102 -0.953 . . . . 0.0 113.486 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.7 m -127.78 169.35 19.33 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-N 117.753 0.776 . . . . 0.0 110.194 -176.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 62.0 m -121.64 135.6 54.97 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -133.61 135.51 44.26 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.917 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.52 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 70.8 m -91.32 117.95 30.09 Favored 'General case' 0 N--CA 1.417 -2.078 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 173.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.292 -1.915 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.586 -173.101 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 . . . . . 0 N--CA 1.433 -1.311 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 . . . . . 0 CA--C 1.545 0.767 0 CA-C-O 123.068 1.414 . . . . 0.0 109.512 -178.433 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.592 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 C--N 1.307 -1.257 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 . . . . . 0 N--CA 1.431 -1.41 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 18.1 m -101.8 139.59 37.23 Favored 'General case' 0 C--N 1.283 -2.298 0 CA-C-O 121.669 0.747 . . . . 0.0 111.312 -173.298 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.0 t -120.56 156.06 23.75 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 85.1 m -131.96 141.36 49.28 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.135 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -147.56 123.76 10.84 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 55.52 36.53 27.33 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.55 1.14 . . . . 0.0 110.932 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.85 -8.32 70.26 Favored Glycine 0 N--CA 1.435 -1.422 0 CA-C-N 115.673 -0.694 . . . . 0.0 113.643 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.3 t -100.58 128.14 52.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -179.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 80.7 m -107.55 144.94 33.84 Favored 'General case' 0 C--N 1.29 -1.997 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.835 -176.509 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -140.32 132.75 28.49 Favored 'General case' 0 N--CA 1.417 -2.086 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.28 -175.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 77.4 m -97.97 114.07 26.09 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 121.558 0.694 . . . . 0.0 110.365 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 t . . . . . 0 C--N 1.295 -1.771 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.229 -171.306 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 . . . . . 0 CA--C 1.496 -1.112 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 72.0 ttt180 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 122.945 1.355 . . . . 0.0 109.766 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.31 0 CA-C-O 120.16 -0.244 . . . . 0.0 113.175 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.0 p -98.61 120.16 47.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 118.878 -1.129 . . . . 0.0 110.767 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.429 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 4.6 mmp_? -122.16 138.68 54.38 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 178.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 32.0 m -104.56 130.25 52.55 Favored 'General case' 0 C--N 1.282 -2.356 0 C-N-CA 118.972 -1.091 . . . . 0.0 109.41 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.8 t -119.24 127.78 75.84 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.635 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.198 -175.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 85.2 m -104.83 134.1 48.53 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -150.06 112.95 4.81 Favored 'General case' 0 C--N 1.287 -2.148 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.251 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 49.45 54.38 11.08 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 125.9 1.68 . . . . 0.0 112.133 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.78 -12.35 65.93 Favored Glycine 0 N--CA 1.429 -1.786 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.476 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 66.3 t -105.32 121.69 57.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 117.78 0.79 . . . . 0.0 109.008 -178.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 96.6 m -108.77 120.29 42.06 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 176.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -125.05 120.43 31.46 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.359 -173.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 93.8 m -86.42 120.53 27.85 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 170.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.3 p -132.19 141.2 45.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.815 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.024 -174.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.446 ' HE ' ' HA ' ' A' ' 17' ' ' ARG . 1.2 mmp_? -109.78 85.67 2.15 Favored 'General case' 0 C--N 1.29 -2.019 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 . . . . . 0 N--CA 1.472 0.627 0 C-N-CA 125.058 1.343 . . . . 0.0 111.404 178.102 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.874 0 CA-C-O 120.682 0.045 . . . . 0.0 113.013 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.6 t -90.32 101.88 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.927 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -124.76 146.03 49.41 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 18.3 m -104.58 139.21 39.79 Favored 'General case' 0 C--N 1.284 -2.261 0 C-N-CA 118.989 -1.085 . . . . 0.0 110.901 -176.15 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.4 t -122.68 129.02 75.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 59.2 m -104.98 131.48 52.44 Favored 'General case' 0 C--N 1.293 -1.87 0 C-N-CA 119.784 -0.766 . . . . 0.0 110.372 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -161.16 145.82 13.66 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 115.012 -0.994 . . . . 0.0 108.918 -175.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 60.84 29.13 18.82 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 125.274 1.43 . . . . 0.0 110.383 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 7.66 87.1 Favored Glycine 0 N--CA 1.436 -1.321 0 CA-C-N 115.152 -0.931 . . . . 0.0 114.001 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.0 m -125.82 166.38 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 117.889 0.845 . . . . 0.0 108.936 178.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 77.5 m -123.58 123.65 41.06 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -178.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -111.82 129.06 56.27 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.381 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.3 m -96.09 114.53 26.25 Favored 'General case' 0 N--CA 1.42 -1.974 0 CA-C-O 121.876 0.846 . . . . 0.0 110.009 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.2 t -107.76 125.76 64.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.443 -171.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -97.33 98.99 10.44 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 . . . . . 0 CA--C 1.541 0.597 0 CA-C-O 122.221 1.01 . . . . 0.0 110.059 179.612 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.517 0 N-CA-C 112.652 -0.179 . . . . 0.0 112.652 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.4 t -95.33 100.41 10.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -131.63 145.7 51.81 Favored 'General case' 0 N--CA 1.417 -2.088 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 -177.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 6.5 m -100.59 134.96 42.78 Favored 'General case' 0 C--N 1.28 -2.423 0 C-N-CA 119.404 -0.918 . . . . 0.0 110.871 -173.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.9 t -106.8 126.68 62.72 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.069 0 CA-C-N 114.37 -1.286 . . . . 0.0 108.011 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 84.5 m -103.93 129.9 51.5 Favored 'General case' 0 N--CA 1.421 -1.879 0 CA-C-O 121.234 0.54 . . . . 0.0 110.253 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -149.04 122.3 8.97 Favored 'General case' 0 C--N 1.283 -2.315 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.515 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 58.88 41.09 21.89 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 124.475 1.11 . . . . 0.0 110.681 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.59 -3.49 73.79 Favored Glycine 0 N--CA 1.438 -1.213 0 CA-C-N 114.96 -1.018 . . . . 0.0 113.538 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.4 t -103.65 122.64 56.55 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.186 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 73.6 m -105.52 119.26 38.66 Favored 'General case' 0 C--N 1.285 -2.233 0 C-N-CA 119.27 -0.972 . . . . 0.0 108.609 175.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -115.24 126.32 54.39 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.705 -176.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.0 m -87.55 121.32 29.83 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.297 0.57 . . . . 0.0 110.934 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.6 t -128.49 144.56 37.54 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.261 -174.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -90.89 81.35 5.71 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 . . . . . 0 CA--C 1.537 0.452 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.343 -179.759 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.94 0 N-CA-C 113.99 0.356 . . . . 0.0 113.99 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 76.5 t -103.25 128.77 55.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 117.35 0.575 . . . . 0.0 111.234 -175.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -116.27 138.92 50.9 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 47.0 m -112.55 143.93 42.89 Favored 'General case' 0 C--N 1.288 -2.102 0 C-N-CA 119.132 -1.027 . . . . 0.0 110.559 -178.391 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.3 t -127.63 123.21 60.83 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 78.6 m -104.55 142.46 34.6 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 120.639 0.257 . . . . 0.0 110.492 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -149.34 118.62 6.83 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-O 121.024 0.44 . . . . 0.0 111.5 -176.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 55.13 37.21 28.54 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.481 1.512 . . . . 0.0 111.947 174.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.72 -15.09 56.04 Favored Glycine 0 N--CA 1.426 -2.014 0 C-N-CA 120.31 -0.947 . . . . 0.0 114.435 176.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.3 m -108.83 160.1 7.89 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.033 0 CA-C-N 118.284 1.042 . . . . 0.0 108.863 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 86.6 m -129.66 124.87 34.7 Favored 'General case' 0 N--CA 1.413 -2.308 0 CA-C-O 121.744 0.783 . . . . 0.0 110.848 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -109.24 104.26 13.37 Favored 'General case' 0 C--N 1.288 -2.1 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.582 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 92.5 m -85.86 130.81 34.44 Favored 'General case' 0 N--CA 1.417 -2.078 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 172.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -140.22 130.19 28.68 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 CA-C-O 121.489 0.661 . . . . 0.0 111.173 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ABA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -125.77 119.81 28.92 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 . . . . . 0 CA--C 1.55 0.966 0 CA-C-O 122.203 1.001 . . . . 0.0 111.271 177.401 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.804 0 N-CA-C 113.277 0.071 . . . . 0.0 113.277 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.1 t -111.68 135.72 50.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 O-C-N 122.038 -0.684 . . . . 0.0 109.438 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -154.88 136.8 14.56 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.5 m -104.34 142.73 34.05 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 120.146 -0.621 . . . . 0.0 110.353 176.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.76 144.8 35.74 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 61.5 m -122.2 139.85 53.28 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 119.859 -0.736 . . . . 0.0 109.75 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -150.05 123.24 8.9 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 64.99 31.37 11.3 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 122.44 1.114 . . . . 0.0 110.126 178.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.59 -4.89 76.63 Favored Glycine 0 N--CA 1.438 -1.188 0 CA-C-N 114.913 -1.039 . . . . 0.0 112.346 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.3 t -103.05 122.65 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.391 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -177.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 82.5 m -96.68 139.87 32.11 Favored 'General case' 0 N--CA 1.412 -2.361 0 CA-C-O 121.882 0.849 . . . . 0.0 109.98 -178.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -129.86 108.39 10.11 Favored 'General case' 0 C--N 1.269 -2.928 0 CA-C-N 114.419 -1.264 . . . . 0.0 107.604 -174.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 86.2 m -93.62 121.24 34.85 Favored 'General case' 0 CA--C 1.486 -1.5 0 CA-C-O 121.376 0.608 . . . . 0.0 111.751 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.0 t -98.98 109.12 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.142 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -168.4 158.46 9.75 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 114.7 -1.136 . . . . 0.0 108.361 -174.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 . . . . . 0 N--CA 1.473 0.69 0 C-N-CA 124.551 1.14 . . . . 0.0 109.643 -179.582 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.426 0 N-CA-C 113.645 0.218 . . . . 0.0 113.645 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.2 t -95.67 123.26 47.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.0 tpm_? -84.66 110.42 18.73 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.28 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 30.1 m -96.1 137.5 35.08 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 119.122 -1.031 . . . . 0.0 109.213 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.3 p -137.41 141.09 40.63 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.323 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.885 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 81.3 m -113.78 128.76 56.54 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 174.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -149.96 129.65 13.2 Favored 'General case' 0 C--N 1.281 -2.408 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.435 -176.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 64.84 22.26 12.48 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.085 0.954 . . . . 0.0 110.943 175.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.58 2.5 76.0 Favored Glycine 0 N--CA 1.433 -1.539 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.145 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.9 t -109.03 121.86 62.79 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 89.4 m -101.78 132.44 47.52 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 175.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -145.19 126.95 15.29 Favored 'General case' 0 N--CA 1.42 -1.954 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.549 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 84.3 m -87.37 116.41 25.45 Favored 'General case' 0 N--CA 1.418 -2.027 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 172.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.0 t -114.07 128.93 70.82 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.101 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.345 -176.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -102.14 95.56 6.41 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.086 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 . . . . . 0 C--N 1.318 -0.792 0 CA-C-O 122.397 1.094 . . . . 0.0 109.911 177.988 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.325 0 N-CA-C 113.392 0.117 . . . . 0.0 113.392 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 93.3 t -89.6 107.04 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.198 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.453 ' HA ' ' O ' ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -154.58 137.96 15.84 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.7 m -98.66 142.21 30.51 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.587 176.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.9 t -129.73 129.87 66.51 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.82 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 81.2 m -104.42 133.41 49.34 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -160.46 135.74 7.96 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.278 -175.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 62.89 20.6 12.32 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-O 122.278 1.037 . . . . 0.0 111.326 173.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.45 -6.89 65.82 Favored Glycine 0 N--CA 1.43 -1.716 0 CA-C-N 115.536 -0.757 . . . . 0.0 113.779 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.0 m -116.5 154.65 18.07 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.931 0 O-C-N 122.088 -0.654 . . . . 0.0 109.471 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 83.5 m -119.23 120.43 37.01 Favored 'General case' 0 C--N 1.284 -2.273 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -110.93 125.24 53.47 Favored 'General case' 0 C--N 1.291 -1.938 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 87.8 m -93.81 114.3 26.53 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 119.371 -0.932 . . . . 0.0 111.43 176.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 59.6 t -88.79 121.15 38.61 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 CA-C-N 114.789 -1.096 . . . . 0.0 108.99 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -138.88 124.26 19.32 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 120.8 0.333 . . . . 0.0 111.301 -174.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 . . . . . 0 C--O 1.241 0.617 0 C-N-CA 124.63 1.172 . . . . 0.0 110.95 177.855 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.749 0 CA-C-O 120.173 -0.237 . . . . 0.0 113.017 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 64.1 t -80.99 107.48 13.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.051 0.453 . . . . 0.0 110.69 -175.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -139.26 157.03 46.61 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 177.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 16.7 m -111.28 145.34 38.95 Favored 'General case' 0 C--N 1.283 -2.29 0 C-N-CA 119.716 -0.793 . . . . 0.0 111.384 -174.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.1 t -106.13 115.76 48.48 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.6 m -111.69 129.05 56.23 Favored 'General case' 0 CA--C 1.479 -1.783 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -163.75 141.41 7.32 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.585 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 61.88 21.31 12.18 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-O 122.526 1.155 . . . . 0.0 110.778 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.46 0.71 84.28 Favored Glycine 0 N--CA 1.43 -1.766 0 CA-C-N 115.452 -0.795 . . . . 0.0 113.676 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.6 p -114.5 146.64 18.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.8 m -122.19 145.19 48.44 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.7 ttp85 -138.25 125.28 21.37 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 68.4 m -90.12 122.08 32.76 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 120.854 0.359 . . . . 0.0 111.294 -178.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.8 t -127.88 131.5 69.65 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.255 -176.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ABA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -85.01 94.79 8.9 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -175.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 . . . . . 0 CA--C 1.543 0.687 0 CA-C-O 122.419 1.104 . . . . 0.0 109.284 179.893 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.982 0 N-CA-C 113.768 0.267 . . . . 0.0 113.768 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.4 t -112.35 134.61 54.31 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -105.44 118.59 36.96 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.3 m -95.13 144.18 25.97 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.184 -173.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.3 t -110.48 127.31 67.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 62.6 m -104.66 129.1 52.87 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 174.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -160.33 144.17 13.99 Favored 'General case' 0 C--N 1.285 -2.219 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -174.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 67.65 22.46 9.03 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 121.902 0.858 . . . . 0.0 110.011 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.71 7.87 88.16 Favored Glycine 0 N--CA 1.435 -1.409 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.225 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.5 t -125.96 142.62 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 96.6 m -102.16 136.66 41.6 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 121.13 0.49 . . . . 0.0 110.443 176.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -136.32 121.1 18.55 Favored 'General case' 0 N--CA 1.428 -1.549 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.556 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.7 m -87.09 125.81 34.37 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 121.403 0.621 . . . . 0.0 111.24 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.1 t -126.76 138.11 55.79 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 -87.66 108.91 19.31 Favored 'General case' 0 N--CA 1.424 -1.744 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.302 -173.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 CA--C 1.544 0.713 0 CA-C-N 114.484 -1.235 . . . . 0.0 110.57 -179.214 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.901 0 CA-C-O 121.145 0.303 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t -92.31 119.59 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.28 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -177.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -127.83 133.55 49.39 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 55.7 m -101.65 143.95 30.97 Favored 'General case' 0 C--N 1.287 -2.124 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.189 177.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.4 p -144.96 150.24 16.22 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 60.7 m -115.6 137.09 52.42 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.453 0.644 . . . . 0.0 110.128 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -134.96 117.94 16.34 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.668 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 66.9 19.21 10.65 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-O 121.799 0.809 . . . . 0.0 111.295 174.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.59 10.3 67.77 Favored Glycine 0 N--CA 1.434 -1.485 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 -177.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.8 t -111.46 123.63 67.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 78.5 m -103.4 129.89 50.6 Favored 'General case' 0 C--N 1.28 -2.44 0 CA-C-O 121.312 0.577 . . . . 0.0 110.239 -176.489 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -128.35 126.28 40.4 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.572 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 99.8 m -90.91 121.12 32.48 Favored 'General case' 0 N--CA 1.414 -2.264 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 173.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.6 p -121.83 122.2 66.23 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.36 0 CA-C-O 121.635 0.731 . . . . 0.0 111.916 -174.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -118.24 128.88 55.11 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 . . . . . 0 N--CA 1.477 0.911 0 CA-C-O 122.809 1.29 . . . . 0.0 109.296 -177.16 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.94 0 N-CA-C 113.423 0.129 . . . . 0.0 113.423 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 99.6 t -110.76 119.32 59.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.458 ' HA ' ' HA ' ' A' ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -112.35 143.49 43.36 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 -178.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 37.6 m -101.01 143.56 31.0 Favored 'General case' 0 C--N 1.285 -2.207 0 C-N-CA 119.291 -0.963 . . . . 0.0 109.377 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.03 137.44 57.17 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.165 0 CA-C-N 115.279 -0.873 . . . . 0.0 108.756 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 60.5 m -104.49 136.2 44.48 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.664 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -146.7 118.91 8.3 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 114.801 -1.09 . . . . 0.0 108.306 -177.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 60.96 34.4 19.44 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.49 1.116 . . . . 0.0 110.691 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.65 2.88 82.28 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.299 -0.864 . . . . 0.0 113.179 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.0 t -105.14 129.23 58.2 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.255 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 85.5 m -107.78 118.78 37.65 Favored 'General case' 0 N--CA 1.415 -2.218 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.558 -178.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -106.71 127.94 53.79 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 114.229 -1.351 . . . . 0.0 108.736 -174.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.2 m -98.52 120.21 38.56 Favored 'General case' 0 C--N 1.288 -2.097 0 C-N-CA 119.662 -0.815 . . . . 0.0 110.518 178.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 p -134.48 132.81 54.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.409 -173.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ABA . . . . . 0.458 ' HA ' ' HA ' ' A' ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -118.1 124.59 48.43 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.4 ttm105 . . . . . 0 CA--C 1.559 1.317 0 CA-C-O 122.777 1.275 . . . . 0.0 111.578 179.394 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.359 0 N-CA-C 112.6 -0.2 . . . . 0.0 112.6 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t -86.71 111.38 21.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -177.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -122.15 133.99 54.74 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 175.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.8 m -102.36 143.28 32.31 Favored 'General case' 0 C--N 1.285 -2.198 0 C-N-CA 119.288 -0.965 . . . . 0.0 108.977 176.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.2 p -138.76 133.08 41.37 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.096 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.57 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 75.3 m -108.45 132.8 53.42 Favored 'General case' 0 CA--C 1.488 -1.436 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 174.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -150.75 131.21 13.8 Favored 'General case' 0 C--N 1.273 -2.757 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -178.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.555 ' HA ' ' NE ' ' A' ' 9' ' ' ARG . 1.3 tpm_? 61.16 26.43 16.32 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.901 0.88 . . . . 0.0 111.689 178.158 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.1 -1.08 82.54 Favored Glycine 0 N--CA 1.435 -1.425 0 CA-C-N 116.008 -0.542 . . . . 0.0 113.629 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.7 p -115.67 143.59 25.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 79.5 m -120.01 134.82 55.14 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.168 0.508 . . . . 0.0 110.966 -176.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -129.81 128.83 43.13 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.175 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.2 m -97.32 113.46 25.1 Favored 'General case' 0 N--CA 1.418 -2.053 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 173.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.9 p -110.95 122.95 66.37 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.549 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.716 -172.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HD2' ' HA ' ' A' ' 17' ' ' ARG . 15.9 tpt180 -95.4 112.01 23.79 Favored 'General case' 0 N--CA 1.416 -2.163 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -173.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 . . . . . 0 CA--C 1.537 0.455 0 CA-C-O 122.525 1.155 . . . . 0.0 109.067 -179.256 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.887 0 N-CA-C 113.994 0.358 . . . . 0.0 113.994 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.9 t -108.75 126.48 65.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 117.634 0.717 . . . . 0.0 110.734 -176.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.407 ' HA ' ' HA ' ' A' ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -111.37 134.11 53.19 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.0 m -96.15 160.59 14.36 Favored 'General case' 0 C--N 1.285 -2.232 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -166.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.9 p -142.07 139.72 30.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.791 176.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 64.6 m -104.78 136.68 43.83 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.298 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -155.9 134.12 11.48 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.739 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 63.14 22.85 13.62 Favored 'General case' 0 CA--C 1.558 1.273 0 CA-C-O 122.302 1.049 . . . . 0.0 110.966 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.78 3.67 90.39 Favored Glycine 0 N--CA 1.441 -0.987 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.812 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.0 t -108.16 123.1 63.48 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.761 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 99.0 m -96.46 119.25 34.61 Favored 'General case' 0 N--CA 1.414 -2.243 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 177.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -115.89 119.34 35.65 Favored 'General case' 0 N--CA 1.417 -2.121 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.248 -172.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.8 m -90.72 121.18 32.39 Favored 'General case' 0 N--CA 1.415 -2.193 0 CA-C-O 121.22 0.533 . . . . 0.0 109.66 176.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.8 t -118.45 128.07 75.44 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.981 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.13 -175.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ABA . . . . . 0.407 ' HA ' ' HA ' ' A' ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -120.06 121.86 39.81 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.246 -175.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.4 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 27.0 tpt180 . . . . . 0 C--N 1.317 -0.835 0 CA-C-N 113.944 -1.48 . . . . 0.0 109.509 -175.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.48 0 N-CA-C 113.282 0.073 . . . . 0.0 113.282 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.7 t -96.32 126.5 48.95 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -106.58 133.94 50.49 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 13.3 m -103.07 134.98 45.59 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 118.878 -1.129 . . . . 0.0 110.357 -178.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.9 t -112.31 128.23 69.06 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.437 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 60.4 m -103.69 129.79 51.09 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.277 178.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -144.86 121.24 10.96 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.611 -176.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.42 ' HA ' ' NE ' ' A' ' 9' ' ' ARG . 5.0 tpm_? 61.65 33.95 17.87 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.44 1.114 . . . . 0.0 110.47 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.73 -0.22 89.62 Favored Glycine 0 N--CA 1.436 -1.304 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.824 178.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.8 t -105.54 122.6 59.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 100.0 m -100.49 119.72 38.92 Favored 'General case' 0 C--N 1.285 -2.23 0 CA-C-O 121.61 0.719 . . . . 0.0 109.111 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -115.58 123.71 49.14 Favored 'General case' 0 C--N 1.288 -2.098 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.554 -175.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.8 m -92.1 119.46 31.79 Favored 'General case' 0 N--CA 1.424 -1.773 0 CA-C-O 121.469 0.652 . . . . 0.0 110.368 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.7 t -119.09 139.88 44.94 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.428 -175.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -90.98 98.64 11.9 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -177.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 . . . . . 0 CA--C 1.542 0.652 0 C-N-CA 124.102 0.961 . . . . 0.0 110.497 178.24 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.036 0 N-CA-C 114.307 0.483 . . . . 0.0 114.307 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t -94.52 122.59 46.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 117.327 0.564 . . . . 0.0 110.073 -176.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -135.08 143.69 46.79 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 -178.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 21.0 m -102.28 143.86 31.52 Favored 'General case' 0 C--N 1.295 -1.803 0 C-N-CA 119.133 -1.027 . . . . 0.0 111.161 -175.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.5 t -119.77 129.83 74.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 63.6 m -105.11 129.41 53.53 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 120.213 -0.595 . . . . 0.0 109.989 177.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -148.15 131.68 16.75 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.982 -175.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 60.69 17.82 7.92 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.429 1.092 . . . . 0.0 113.218 173.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.28 14.31 45.38 Favored Glycine 0 N--CA 1.422 -2.258 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.078 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.4 p -134.27 144.29 35.68 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 175.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 77.8 m -112.2 121.63 45.47 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-O 121.701 0.762 . . . . 0.0 109.626 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -108.08 115.66 30.54 Favored 'General case' 0 C--N 1.28 -2.414 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.934 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.5 m -85.97 123.36 31.21 Favored 'General case' 0 C--N 1.287 -2.148 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 175.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 p -133.86 146.14 32.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.887 -173.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -112.75 120.48 41.64 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.291 -177.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 . . . . . 0 C--O 1.238 0.457 0 CA-C-N 114.064 -1.426 . . . . 0.0 109.468 -175.69 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.343 0 N-CA-C 112.749 -0.141 . . . . 0.0 112.749 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.1 t -104.65 138.46 29.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -174.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -92.34 146.15 23.92 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 17.6 m -107.42 130.56 54.8 Favored 'General case' 0 C--N 1.279 -2.458 0 C-N-CA 118.792 -1.163 . . . . 0.0 109.985 -179.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.4 p -110.01 138.58 37.06 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.514 0 CA-C-N 114.51 -1.223 . . . . 0.0 108.71 -178.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.1 m -121.44 136.89 54.91 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.249 0.547 . . . . 0.0 110.693 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -138.28 120.27 15.51 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 115.406 -0.816 . . . . 0.0 108.87 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 61.5 15.42 6.69 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.2 1.4 . . . . 0.0 111.771 -177.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.87 -0.56 59.25 Favored Glycine 0 N--CA 1.429 -1.826 0 O-C-N 121.762 -0.586 . . . . 0.0 112.447 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.5 t -100.75 123.98 54.06 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.1 m -113.48 150.94 32.13 Favored 'General case' 0 C--N 1.285 -2.236 0 CA-C-O 121.222 0.534 . . . . 0.0 111.079 -172.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -141.32 131.24 24.46 Favored 'General case' 0 N--CA 1.414 -2.265 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.603 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 82.4 m -94.35 116.74 29.16 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 176.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.82 135.59 63.25 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.33 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.116 -173.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.2 mtt-85 -111.67 133.92 53.59 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.24 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 . . . . . 0 CA--C 1.541 0.61 0 CA-C-O 122.883 1.325 . . . . 0.0 108.551 -175.874 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.668 0 CA-C-O 120.689 0.049 . . . . 0.0 113.089 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.8 t -98.82 121.04 48.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -177.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -119.2 136.95 53.95 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -176.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 13.7 m -100.23 133.68 44.28 Favored 'General case' 0 N--CA 1.424 -1.738 0 C-N-CA 119.484 -0.886 . . . . 0.0 110.573 -178.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -106.48 129.28 60.14 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 CA-C-N 114.312 -1.313 . . . . 0.0 107.737 -177.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.3 m -113.87 140.39 48.39 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.652 -176.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -166.11 141.27 4.66 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.686 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 58.73 31.13 20.86 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.277 1.031 . . . . 0.0 111.91 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.57 3.6 83.82 Favored Glycine 0 N--CA 1.431 -1.67 0 CA-C-N 115.836 -0.62 . . . . 0.0 113.937 176.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.6 m -126.66 160.4 34.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 117.717 0.759 . . . . 0.0 109.646 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.5 m -132.19 130.62 41.28 Favored 'General case' 0 N--CA 1.418 -2.035 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -111.08 124.81 52.93 Favored 'General case' 0 C--N 1.288 -2.075 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 78.4 m -88.29 118.4 27.87 Favored 'General case' 0 N--CA 1.425 -1.676 0 CA-C-O 121.58 0.705 . . . . 0.0 110.345 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.5 t -110.63 139.58 33.63 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.923 0 CA-C-N 114.415 -1.266 . . . . 0.0 110.061 -173.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -79.41 82.78 5.51 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 113.733 -1.576 . . . . 0.0 108.485 -170.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 . . . . . 0 C--N 1.32 -0.689 0 C-N-CA 124.922 1.289 . . . . 0.0 110.954 179.562 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.079 0 CA-C-O 119.758 -0.468 . . . . 0.0 113.888 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.3 m -95.3 134.67 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.502 0 CA-C-N 118.151 0.975 . . . . 0.0 111.836 -177.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -83.19 113.59 20.76 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 55.6 m -100.48 137.83 38.36 Favored 'General case' 0 C--N 1.281 -2.374 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.762 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -124.72 136.06 61.94 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.398 0 CA-C-N 114.658 -1.156 . . . . 0.0 107.964 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.6 m -125.13 131.18 53.31 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -144.38 128.65 17.79 Favored 'General case' 0 C--N 1.287 -2.111 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.843 -175.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 59.95 27.24 16.59 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.382 1.073 . . . . 0.0 110.986 178.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.99 5.17 83.78 Favored Glycine 0 N--CA 1.44 -1.1 0 C-N-CA 120.997 -0.621 . . . . 0.0 113.094 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.5 t -110.93 137.01 45.2 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.3 m -116.81 146.94 42.54 Favored 'General case' 0 C--N 1.293 -1.859 0 C-N-CA 119.935 -0.706 . . . . 0.0 111.247 -178.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -142.53 119.66 11.43 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.424 178.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 95.0 m -91.75 120.39 32.44 Favored 'General case' 0 N--CA 1.428 -1.556 0 CA-C-O 121.09 0.471 . . . . 0.0 110.229 174.416 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -118.33 118.51 58.28 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.892 0 CA-C-O 121.603 0.716 . . . . 0.0 111.785 -178.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -125.82 119.72 28.62 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 -178.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 . . . . . 0 C--O 1.246 0.873 0 CA-C-O 122.578 1.18 . . . . 0.0 109.885 177.535 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.992 0 CA-C-O 119.854 -0.414 . . . . 0.0 113.884 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p -105.54 130.34 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-N 117.916 0.858 . . . . 0.0 110.581 -177.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -109.36 132.44 54.12 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 -178.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.52 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 21.8 m -96.05 134.78 38.68 Favored 'General case' 0 C--N 1.286 -2.182 0 C-N-CA 118.389 -1.324 . . . . 0.0 109.07 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.0 t -125.74 134.05 67.59 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.254 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.717 -175.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 67.9 m -104.45 127.14 52.08 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 172.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -167.87 149.37 5.37 Favored 'General case' 0 C--N 1.29 -2.008 0 CA-C-N 114.798 -1.092 . . . . 0.0 108.218 -173.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? 66.4 15.63 10.16 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 122.066 0.936 . . . . 0.0 110.283 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.46 -4.49 76.7 Favored Glycine 0 N--CA 1.425 -2.087 0 CA-C-N 115.102 -0.953 . . . . 0.0 113.486 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.7 m -127.78 169.35 19.33 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-N 117.753 0.776 . . . . 0.0 110.194 -176.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 62.0 m -121.64 135.6 54.97 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -133.61 135.51 44.26 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.917 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.52 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 70.8 m -91.32 117.95 30.09 Favored 'General case' 0 N--CA 1.417 -2.078 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 173.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.4 p -133.81 136.26 54.21 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.586 -173.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -103.31 127.36 50.67 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 . . . . . 0 CA--C 1.545 0.767 0 CA-C-O 123.068 1.414 . . . . 0.0 109.512 -178.433 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.592 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.7 t -118.78 128.55 75.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -109.32 145.73 35.51 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 18.1 m -101.8 139.59 37.23 Favored 'General case' 0 C--N 1.283 -2.298 0 CA-C-O 121.669 0.747 . . . . 0.0 111.312 -173.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.0 t -120.56 156.06 23.75 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 85.1 m -131.96 141.36 49.28 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.135 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -147.56 123.76 10.84 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 55.52 36.53 27.33 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.55 1.14 . . . . 0.0 110.932 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.85 -8.32 70.26 Favored Glycine 0 N--CA 1.435 -1.422 0 CA-C-N 115.673 -0.694 . . . . 0.0 113.643 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.3 t -100.58 128.14 52.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -179.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 80.7 m -107.55 144.94 33.84 Favored 'General case' 0 C--N 1.29 -1.997 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.835 -176.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -140.32 132.75 28.49 Favored 'General case' 0 N--CA 1.417 -2.086 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.28 -175.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 77.4 m -97.97 114.07 26.09 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 121.558 0.694 . . . . 0.0 110.365 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 t -121.25 141.1 43.2 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.229 -171.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -131.16 131.84 44.35 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 72.0 ttt180 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 122.945 1.355 . . . . 0.0 109.766 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.31 0 CA-C-O 120.16 -0.244 . . . . 0.0 113.175 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 C--N 1.324 -0.509 0 C-N-CA 118.878 -1.129 . . . . 0.0 110.767 -178.91 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.429 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 4.6 mmp_? . . . . . 0 CA--C 1.495 -1.17 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 32.0 m -104.56 130.25 52.55 Favored 'General case' 0 C--N 1.282 -2.356 0 C-N-CA 118.972 -1.091 . . . . 0.0 109.41 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.8 t -119.24 127.78 75.84 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.635 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.198 -175.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 85.2 m -104.83 134.1 48.53 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -150.06 112.95 4.81 Favored 'General case' 0 C--N 1.287 -2.148 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.251 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 49.45 54.38 11.08 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 125.9 1.68 . . . . 0.0 112.133 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.78 -12.35 65.93 Favored Glycine 0 N--CA 1.429 -1.786 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.476 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 66.3 t -105.32 121.69 57.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 117.78 0.79 . . . . 0.0 109.008 -178.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 96.6 m -108.77 120.29 42.06 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 176.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -125.05 120.43 31.46 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.359 -173.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 93.8 m -86.42 120.53 27.85 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 170.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 C--N 1.294 -1.815 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.024 -174.448 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.446 ' HE ' ' HA ' ' A' ' 17' ' ' ARG . 1.2 mmp_? . . . . . 0 N--CA 1.43 -1.468 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 . . . . . 0 N--CA 1.472 0.627 0 C-N-CA 125.058 1.343 . . . . 0.0 111.404 178.102 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.874 0 CA-C-O 120.682 0.045 . . . . 0.0 113.013 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.6 t . . . . . 0 N--CA 1.44 -0.927 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.51 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 . . . . . 0 N--CA 1.435 -1.222 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 18.3 m -104.58 139.21 39.79 Favored 'General case' 0 C--N 1.284 -2.261 0 C-N-CA 118.989 -1.085 . . . . 0.0 110.901 -176.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.4 t -122.68 129.02 75.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 59.2 m -104.98 131.48 52.44 Favored 'General case' 0 C--N 1.293 -1.87 0 C-N-CA 119.784 -0.766 . . . . 0.0 110.372 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -161.16 145.82 13.66 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 115.012 -0.994 . . . . 0.0 108.918 -175.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 60.84 29.13 18.82 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 125.274 1.43 . . . . 0.0 110.383 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 7.66 87.1 Favored Glycine 0 N--CA 1.436 -1.321 0 CA-C-N 115.152 -0.931 . . . . 0.0 114.001 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.0 m -125.82 166.38 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 117.889 0.845 . . . . 0.0 108.936 178.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 77.5 m -123.58 123.65 41.06 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -178.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -111.82 129.06 56.27 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.381 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.3 m -96.09 114.53 26.25 Favored 'General case' 0 N--CA 1.42 -1.974 0 CA-C-O 121.876 0.846 . . . . 0.0 110.009 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.298 -1.67 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.443 -171.453 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 . . . . . 0 N--CA 1.437 -1.12 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 . . . . . 0 CA--C 1.541 0.597 0 CA-C-O 122.221 1.01 . . . . 0.0 110.059 179.612 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.517 0 N-CA-C 112.652 -0.179 . . . . 0.0 112.652 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.4 t . . . . . 0 C--N 1.318 -0.765 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.662 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 . . . . . 0 N--CA 1.417 -2.088 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 6.5 m -100.59 134.96 42.78 Favored 'General case' 0 C--N 1.28 -2.423 0 C-N-CA 119.404 -0.918 . . . . 0.0 110.871 -173.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.9 t -106.8 126.68 62.72 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.069 0 CA-C-N 114.37 -1.286 . . . . 0.0 108.011 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 84.5 m -103.93 129.9 51.5 Favored 'General case' 0 N--CA 1.421 -1.879 0 CA-C-O 121.234 0.54 . . . . 0.0 110.253 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -149.04 122.3 8.97 Favored 'General case' 0 C--N 1.283 -2.315 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.515 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 58.88 41.09 21.89 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 124.475 1.11 . . . . 0.0 110.681 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.59 -3.49 73.79 Favored Glycine 0 N--CA 1.438 -1.213 0 CA-C-N 114.96 -1.018 . . . . 0.0 113.538 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.4 t -103.65 122.64 56.55 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.186 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 73.6 m -105.52 119.26 38.66 Favored 'General case' 0 C--N 1.285 -2.233 0 C-N-CA 119.27 -0.972 . . . . 0.0 108.609 175.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -115.24 126.32 54.39 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.705 -176.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.0 m -87.55 121.32 29.83 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.297 0.57 . . . . 0.0 110.934 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.6 t . . . . . 0 C--N 1.31 -1.15 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.261 -174.566 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 . . . . . 0 N--CA 1.438 -1.032 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 . . . . . 0 CA--C 1.537 0.452 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.343 -179.759 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.94 0 N-CA-C 113.99 0.356 . . . . 0.0 113.99 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 C--N 1.317 -0.847 0 CA-C-N 117.35 0.575 . . . . 0.0 111.234 -175.061 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 . . . . . 0 N--CA 1.435 -1.2 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 47.0 m -112.55 143.93 42.89 Favored 'General case' 0 C--N 1.288 -2.102 0 C-N-CA 119.132 -1.027 . . . . 0.0 110.559 -178.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.3 t -127.63 123.21 60.83 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 78.6 m -104.55 142.46 34.6 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 120.639 0.257 . . . . 0.0 110.492 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -149.34 118.62 6.83 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-O 121.024 0.44 . . . . 0.0 111.5 -176.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 55.13 37.21 28.54 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.481 1.512 . . . . 0.0 111.947 174.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.72 -15.09 56.04 Favored Glycine 0 N--CA 1.426 -2.014 0 C-N-CA 120.31 -0.947 . . . . 0.0 114.435 176.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.3 m -108.83 160.1 7.89 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.033 0 CA-C-N 118.284 1.042 . . . . 0.0 108.863 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 86.6 m -129.66 124.87 34.7 Favored 'General case' 0 N--CA 1.413 -2.308 0 CA-C-O 121.744 0.783 . . . . 0.0 110.848 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -109.24 104.26 13.37 Favored 'General case' 0 C--N 1.288 -2.1 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.582 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 92.5 m -85.86 130.81 34.44 Favored 'General case' 0 N--CA 1.417 -2.078 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 172.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.295 -1.772 0 CA-C-O 121.489 0.661 . . . . 0.0 111.173 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 . . . . . 0 N--CA 1.423 -1.808 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 . . . . . 0 CA--C 1.55 0.966 0 CA-C-O 122.203 1.001 . . . . 0.0 111.271 177.401 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.804 0 N-CA-C 113.277 0.071 . . . . 0.0 113.277 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.317 -0.847 0 O-C-N 122.038 -0.684 . . . . 0.0 109.438 -178.654 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 . . . . . 0 N--CA 1.446 -0.656 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.5 m -104.34 142.73 34.05 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 120.146 -0.621 . . . . 0.0 110.353 176.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.76 144.8 35.74 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 61.5 m -122.2 139.85 53.28 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 119.859 -0.736 . . . . 0.0 109.75 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -150.05 123.24 8.9 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 64.99 31.37 11.3 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 122.44 1.114 . . . . 0.0 110.126 178.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.59 -4.89 76.63 Favored Glycine 0 N--CA 1.438 -1.188 0 CA-C-N 114.913 -1.039 . . . . 0.0 112.346 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.3 t -103.05 122.65 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.391 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -177.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 82.5 m -96.68 139.87 32.11 Favored 'General case' 0 N--CA 1.412 -2.361 0 CA-C-O 121.882 0.849 . . . . 0.0 109.98 -178.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -129.86 108.39 10.11 Favored 'General case' 0 C--N 1.269 -2.928 0 CA-C-N 114.419 -1.264 . . . . 0.0 107.604 -174.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 86.2 m -93.62 121.24 34.85 Favored 'General case' 0 CA--C 1.486 -1.5 0 CA-C-O 121.376 0.608 . . . . 0.0 111.751 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.0 t . . . . . 0 N--CA 1.416 -2.142 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 178.424 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 . . . . . 0 N--CA 1.434 -1.241 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 . . . . . 0 N--CA 1.473 0.69 0 C-N-CA 124.551 1.14 . . . . 0.0 109.643 -179.582 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.426 0 N-CA-C 113.645 0.218 . . . . 0.0 113.645 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.2 t . . . . . 0 C--N 1.317 -0.82 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.22 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.0 tpm_? . . . . . 0 N--CA 1.443 -0.821 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 30.1 m -96.1 137.5 35.08 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 119.122 -1.031 . . . . 0.0 109.213 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.3 p -137.41 141.09 40.63 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.323 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.885 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 81.3 m -113.78 128.76 56.54 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 174.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -149.96 129.65 13.2 Favored 'General case' 0 C--N 1.281 -2.408 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.435 -176.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 64.84 22.26 12.48 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.085 0.954 . . . . 0.0 110.943 175.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.58 2.5 76.0 Favored Glycine 0 N--CA 1.433 -1.539 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.145 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.9 t -109.03 121.86 62.79 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 89.4 m -101.78 132.44 47.52 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 175.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -145.19 126.95 15.29 Favored 'General case' 0 N--CA 1.42 -1.954 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.549 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 84.3 m -87.37 116.41 25.45 Favored 'General case' 0 N--CA 1.418 -2.027 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 172.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.0 t . . . . . 0 C--N 1.288 -2.101 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.345 -176.21 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 . . . . . 0 N--CA 1.428 -1.545 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 . . . . . 0 C--N 1.318 -0.792 0 CA-C-O 122.397 1.094 . . . . 0.0 109.911 177.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.325 0 N-CA-C 113.392 0.117 . . . . 0.0 113.392 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 N--CA 1.435 -1.198 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.51 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 . . . . . 0 N--CA 1.446 -0.635 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.7 m -98.66 142.21 30.51 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.587 176.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.9 t -129.73 129.87 66.51 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.82 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 81.2 m -104.42 133.41 49.34 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -160.46 135.74 7.96 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.278 -175.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 62.89 20.6 12.32 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-O 122.278 1.037 . . . . 0.0 111.326 173.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.45 -6.89 65.82 Favored Glycine 0 N--CA 1.43 -1.716 0 CA-C-N 115.536 -0.757 . . . . 0.0 113.779 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.0 m -116.5 154.65 18.07 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.931 0 O-C-N 122.088 -0.654 . . . . 0.0 109.471 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 83.5 m -119.23 120.43 37.01 Favored 'General case' 0 C--N 1.284 -2.273 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -110.93 125.24 53.47 Favored 'General case' 0 C--N 1.291 -1.938 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 87.8 m -93.81 114.3 26.53 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 119.371 -0.932 . . . . 0.0 111.43 176.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 C--N 1.296 -1.718 0 CA-C-N 114.789 -1.096 . . . . 0.0 108.99 -177.034 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 . . . . . 0 C--O 1.242 0.699 0 CA-C-O 120.8 0.333 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 . . . . . 0 C--O 1.241 0.617 0 C-N-CA 124.63 1.172 . . . . 0.0 110.95 177.855 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.749 0 CA-C-O 120.173 -0.237 . . . . 0.0 113.017 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 64.1 t . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 121.051 0.453 . . . . 0.0 110.69 -175.801 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 . . . . . 0 N--CA 1.444 -0.767 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 16.7 m -111.28 145.34 38.95 Favored 'General case' 0 C--N 1.283 -2.29 0 C-N-CA 119.716 -0.793 . . . . 0.0 111.384 -174.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.1 t -106.13 115.76 48.48 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.6 m -111.69 129.05 56.23 Favored 'General case' 0 CA--C 1.479 -1.783 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -163.75 141.41 7.32 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.585 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 61.88 21.31 12.18 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-O 122.526 1.155 . . . . 0.0 110.778 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.46 0.71 84.28 Favored Glycine 0 N--CA 1.43 -1.766 0 CA-C-N 115.452 -0.795 . . . . 0.0 113.676 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.6 p -114.5 146.64 18.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.8 m -122.19 145.19 48.44 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.7 ttp85 -138.25 125.28 21.37 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 68.4 m -90.12 122.08 32.76 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 120.854 0.359 . . . . 0.0 111.294 -178.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.8 t . . . . . 0 C--N 1.31 -1.128 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.255 -176.851 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 . . . . . 0 N--CA 1.436 -1.145 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 . . . . . 0 CA--C 1.543 0.687 0 CA-C-O 122.419 1.104 . . . . 0.0 109.284 179.893 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.982 0 N-CA-C 113.768 0.267 . . . . 0.0 113.768 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.4 t . . . . . 0 C--N 1.316 -0.865 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -178.641 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 . . . . . 0 N--CA 1.44 -0.927 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.3 m -95.13 144.18 25.97 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.184 -173.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.3 t -110.48 127.31 67.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 62.6 m -104.66 129.1 52.87 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 174.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -160.33 144.17 13.99 Favored 'General case' 0 C--N 1.285 -2.219 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -174.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 67.65 22.46 9.03 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 121.902 0.858 . . . . 0.0 110.011 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.71 7.87 88.16 Favored Glycine 0 N--CA 1.435 -1.409 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.225 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.5 t -125.96 142.62 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 96.6 m -102.16 136.66 41.6 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 121.13 0.49 . . . . 0.0 110.443 176.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -136.32 121.1 18.55 Favored 'General case' 0 N--CA 1.428 -1.549 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.556 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.7 m -87.09 125.81 34.37 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 121.403 0.621 . . . . 0.0 111.24 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.1 t . . . . . 0 C--N 1.297 -1.704 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 179.536 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 . . . . . 0 N--CA 1.424 -1.744 0 CA-C-O 121.141 0.496 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 CA--C 1.544 0.713 0 CA-C-N 114.484 -1.235 . . . . 0.0 110.57 -179.214 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.901 0 CA-C-O 121.145 0.303 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.433 -1.28 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -177.258 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 . . . . . 0 N--CA 1.434 -1.251 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 55.7 m -101.65 143.95 30.97 Favored 'General case' 0 C--N 1.287 -2.124 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.189 177.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.4 p -144.96 150.24 16.22 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 60.7 m -115.6 137.09 52.42 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.453 0.644 . . . . 0.0 110.128 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -134.96 117.94 16.34 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.668 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 66.9 19.21 10.65 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-O 121.799 0.809 . . . . 0.0 111.295 174.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.59 10.3 67.77 Favored Glycine 0 N--CA 1.434 -1.485 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 -177.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.8 t -111.46 123.63 67.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 78.5 m -103.4 129.89 50.6 Favored 'General case' 0 C--N 1.28 -2.44 0 CA-C-O 121.312 0.577 . . . . 0.0 110.239 -176.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -128.35 126.28 40.4 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.572 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 99.8 m -90.91 121.12 32.48 Favored 'General case' 0 N--CA 1.414 -2.264 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 173.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 C--N 1.282 -2.36 0 CA-C-O 121.635 0.731 . . . . 0.0 111.916 -174.743 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 . . . . . 0 N--CA 1.432 -1.346 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 . . . . . 0 N--CA 1.477 0.911 0 CA-C-O 122.809 1.29 . . . . 0.0 109.296 -177.16 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.94 0 N-CA-C 113.423 0.129 . . . . 0.0 113.423 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 99.6 t . . . . . 0 C--N 1.316 -0.868 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 179.433 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 . . . . . 0 N--CA 1.431 -1.404 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 37.6 m -101.01 143.56 31.0 Favored 'General case' 0 C--N 1.285 -2.207 0 C-N-CA 119.291 -0.963 . . . . 0.0 109.377 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.03 137.44 57.17 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.165 0 CA-C-N 115.279 -0.873 . . . . 0.0 108.756 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 60.5 m -104.49 136.2 44.48 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.664 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -146.7 118.91 8.3 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 114.801 -1.09 . . . . 0.0 108.306 -177.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 60.96 34.4 19.44 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.49 1.116 . . . . 0.0 110.691 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.65 2.88 82.28 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.299 -0.864 . . . . 0.0 113.179 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.0 t -105.14 129.23 58.2 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.255 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 85.5 m -107.78 118.78 37.65 Favored 'General case' 0 N--CA 1.415 -2.218 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.558 -178.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -106.71 127.94 53.79 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 114.229 -1.351 . . . . 0.0 108.736 -174.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.2 m -98.52 120.21 38.56 Favored 'General case' 0 C--N 1.288 -2.097 0 C-N-CA 119.662 -0.815 . . . . 0.0 110.518 178.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.3 -1.555 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.409 -173.909 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 . . . . . 0 N--CA 1.436 -1.129 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.4 ttm105 . . . . . 0 CA--C 1.559 1.317 0 CA-C-O 122.777 1.275 . . . . 0.0 111.578 179.394 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.359 0 N-CA-C 112.6 -0.2 . . . . 0.0 112.6 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.32 -0.705 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -177.21 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 . . . . . 0 N--CA 1.436 -1.131 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.8 m -102.36 143.28 32.31 Favored 'General case' 0 C--N 1.285 -2.198 0 C-N-CA 119.288 -0.965 . . . . 0.0 108.977 176.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.2 p -138.76 133.08 41.37 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.096 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.57 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 75.3 m -108.45 132.8 53.42 Favored 'General case' 0 CA--C 1.488 -1.436 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 174.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -150.75 131.21 13.8 Favored 'General case' 0 C--N 1.273 -2.757 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -178.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.555 ' HA ' ' NE ' ' A' ' 9' ' ' ARG . 1.3 tpm_? 61.16 26.43 16.32 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.901 0.88 . . . . 0.0 111.689 178.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.1 -1.08 82.54 Favored Glycine 0 N--CA 1.435 -1.425 0 CA-C-N 116.008 -0.542 . . . . 0.0 113.629 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.7 p -115.67 143.59 25.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 79.5 m -120.01 134.82 55.14 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.168 0.508 . . . . 0.0 110.966 -176.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -129.81 128.83 43.13 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.175 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.2 m -97.32 113.46 25.1 Favored 'General case' 0 N--CA 1.418 -2.053 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 173.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.277 -2.549 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.716 -172.687 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HD2' ' HA ' ' A' ' 17' ' ' ARG . 15.9 tpt180 . . . . . 0 N--CA 1.416 -2.163 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 . . . . . 0 CA--C 1.537 0.455 0 CA-C-O 122.525 1.155 . . . . 0.0 109.067 -179.256 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.887 0 N-CA-C 113.994 0.358 . . . . 0.0 113.994 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.9 t . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 117.634 0.717 . . . . 0.0 110.734 -176.19 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 . . . . . 0 N--CA 1.429 -1.479 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.0 m -96.15 160.59 14.36 Favored 'General case' 0 C--N 1.285 -2.232 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -166.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.9 p -142.07 139.72 30.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.791 176.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 64.6 m -104.78 136.68 43.83 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.298 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -155.9 134.12 11.48 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.739 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 63.14 22.85 13.62 Favored 'General case' 0 CA--C 1.558 1.273 0 CA-C-O 122.302 1.049 . . . . 0.0 110.966 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.78 3.67 90.39 Favored Glycine 0 N--CA 1.441 -0.987 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.812 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.0 t -108.16 123.1 63.48 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.761 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 99.0 m -96.46 119.25 34.61 Favored 'General case' 0 N--CA 1.414 -2.243 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 177.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -115.89 119.34 35.65 Favored 'General case' 0 N--CA 1.417 -2.121 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.248 -172.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.8 m -90.72 121.18 32.39 Favored 'General case' 0 N--CA 1.415 -2.193 0 CA-C-O 121.22 0.533 . . . . 0.0 109.66 176.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 C--N 1.29 -1.981 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.13 -175.001 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 . . . . . 0 N--CA 1.42 -1.936 0 CA-C-O 121.495 0.664 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.4 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 27.0 tpt180 . . . . . 0 C--N 1.317 -0.835 0 CA-C-N 113.944 -1.48 . . . . 0.0 109.509 -175.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.48 0 N-CA-C 113.282 0.073 . . . . 0.0 113.282 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.7 t . . . . . 0 C--N 1.312 -1.052 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -178.879 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 . . . . . 0 N--CA 1.435 -1.178 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 13.3 m -103.07 134.98 45.59 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 118.878 -1.129 . . . . 0.0 110.357 -178.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.9 t -112.31 128.23 69.06 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.437 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 60.4 m -103.69 129.79 51.09 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.277 178.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -144.86 121.24 10.96 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.611 -176.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.42 ' HA ' ' NE ' ' A' ' 9' ' ' ARG . 5.0 tpm_? 61.65 33.95 17.87 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.44 1.114 . . . . 0.0 110.47 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.73 -0.22 89.62 Favored Glycine 0 N--CA 1.436 -1.304 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.824 178.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.8 t -105.54 122.6 59.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 100.0 m -100.49 119.72 38.92 Favored 'General case' 0 C--N 1.285 -2.23 0 CA-C-O 121.61 0.719 . . . . 0.0 109.111 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -115.58 123.71 49.14 Favored 'General case' 0 C--N 1.288 -2.098 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.554 -175.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.8 m -92.1 119.46 31.79 Favored 'General case' 0 N--CA 1.424 -1.773 0 CA-C-O 121.469 0.652 . . . . 0.0 110.368 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.7 t . . . . . 0 C--N 1.295 -1.782 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.428 -175.226 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 . . . . . 0 N--CA 1.426 -1.646 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 . . . . . 0 CA--C 1.542 0.652 0 C-N-CA 124.102 0.961 . . . . 0.0 110.497 178.24 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.036 0 N-CA-C 114.307 0.483 . . . . 0.0 114.307 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 C--N 1.313 -1.008 0 CA-C-N 117.327 0.564 . . . . 0.0 110.073 -176.816 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 . . . . . 0 N--CA 1.429 -1.489 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 21.0 m -102.28 143.86 31.52 Favored 'General case' 0 C--N 1.295 -1.803 0 C-N-CA 119.133 -1.027 . . . . 0.0 111.161 -175.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.5 t -119.77 129.83 74.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 63.6 m -105.11 129.41 53.53 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 120.213 -0.595 . . . . 0.0 109.989 177.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -148.15 131.68 16.75 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.982 -175.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 60.69 17.82 7.92 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.429 1.092 . . . . 0.0 113.218 173.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.28 14.31 45.38 Favored Glycine 0 N--CA 1.422 -2.258 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.078 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.4 p -134.27 144.29 35.68 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 175.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 77.8 m -112.2 121.63 45.47 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-O 121.701 0.762 . . . . 0.0 109.626 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -108.08 115.66 30.54 Favored 'General case' 0 C--N 1.28 -2.414 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.934 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.5 m -85.97 123.36 31.21 Favored 'General case' 0 C--N 1.287 -2.148 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 175.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 C--N 1.296 -1.76 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.887 -173.94 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 N--CA 1.437 -1.086 0 CA-C-O 121.219 0.533 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 . . . . . 0 C--O 1.238 0.457 0 CA-C-N 114.064 -1.426 . . . . 0.0 109.468 -175.69 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.343 0 N-CA-C 112.749 -0.141 . . . . 0.0 112.749 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.1 t . . . . . 0 C--N 1.315 -0.894 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -174.355 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 . . . . . 0 CA--C 1.502 -0.882 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 17.6 m -107.42 130.56 54.8 Favored 'General case' 0 C--N 1.279 -2.458 0 C-N-CA 118.792 -1.163 . . . . 0.0 109.985 -179.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.4 p -110.01 138.58 37.06 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.514 0 CA-C-N 114.51 -1.223 . . . . 0.0 108.71 -178.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.1 m -121.44 136.89 54.91 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.249 0.547 . . . . 0.0 110.693 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -138.28 120.27 15.51 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 115.406 -0.816 . . . . 0.0 108.87 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 61.5 15.42 6.69 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.2 1.4 . . . . 0.0 111.771 -177.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.87 -0.56 59.25 Favored Glycine 0 N--CA 1.429 -1.826 0 O-C-N 121.762 -0.586 . . . . 0.0 112.447 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.5 t -100.75 123.98 54.06 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.1 m -113.48 150.94 32.13 Favored 'General case' 0 C--N 1.285 -2.236 0 CA-C-O 121.222 0.534 . . . . 0.0 111.079 -172.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -141.32 131.24 24.46 Favored 'General case' 0 N--CA 1.414 -2.265 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.603 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 82.4 m -94.35 116.74 29.16 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 176.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.282 -2.33 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.116 -173.666 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.2 mtt-85 . . . . . 0 N--CA 1.429 -1.476 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 . . . . . 0 CA--C 1.541 0.61 0 CA-C-O 122.883 1.325 . . . . 0.0 108.551 -175.874 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.668 0 CA-C-O 120.689 0.049 . . . . 0.0 113.089 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.8 t . . . . . 0 C--N 1.312 -1.044 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -177.319 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 . . . . . 0 N--CA 1.432 -1.358 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 13.7 m -100.23 133.68 44.28 Favored 'General case' 0 N--CA 1.424 -1.738 0 C-N-CA 119.484 -0.886 . . . . 0.0 110.573 -178.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -106.48 129.28 60.14 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 CA-C-N 114.312 -1.313 . . . . 0.0 107.737 -177.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.3 m -113.87 140.39 48.39 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.652 -176.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -166.11 141.27 4.66 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.686 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 58.73 31.13 20.86 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.277 1.031 . . . . 0.0 111.91 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.57 3.6 83.82 Favored Glycine 0 N--CA 1.431 -1.67 0 CA-C-N 115.836 -0.62 . . . . 0.0 113.937 176.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.6 m -126.66 160.4 34.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 117.717 0.759 . . . . 0.0 109.646 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.5 m -132.19 130.62 41.28 Favored 'General case' 0 N--CA 1.418 -2.035 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -111.08 124.81 52.93 Favored 'General case' 0 C--N 1.288 -2.075 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 78.4 m -88.29 118.4 27.87 Favored 'General case' 0 N--CA 1.425 -1.676 0 CA-C-O 121.58 0.705 . . . . 0.0 110.345 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.292 -1.923 0 CA-C-N 114.415 -1.266 . . . . 0.0 110.061 -173.11 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 . . . . . 0 N--CA 1.43 -1.425 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 . . . . . 0 C--N 1.32 -0.689 0 C-N-CA 124.922 1.289 . . . . 0.0 110.954 179.562 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.079 0 CA-C-O 119.758 -0.468 . . . . 0.0 113.888 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.429 -1.502 0 CA-C-N 118.151 0.975 . . . . 0.0 111.836 -177.472 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 . . . . . 0 N--CA 1.436 -1.171 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 55.6 m -100.48 137.83 38.36 Favored 'General case' 0 C--N 1.281 -2.374 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.762 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -124.72 136.06 61.94 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.398 0 CA-C-N 114.658 -1.156 . . . . 0.0 107.964 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.6 m -125.13 131.18 53.31 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -144.38 128.65 17.79 Favored 'General case' 0 C--N 1.287 -2.111 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.843 -175.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 59.95 27.24 16.59 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.382 1.073 . . . . 0.0 110.986 178.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.99 5.17 83.78 Favored Glycine 0 N--CA 1.44 -1.1 0 C-N-CA 120.997 -0.621 . . . . 0.0 113.094 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.5 t -110.93 137.01 45.2 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.3 m -116.81 146.94 42.54 Favored 'General case' 0 C--N 1.293 -1.859 0 C-N-CA 119.935 -0.706 . . . . 0.0 111.247 -178.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -142.53 119.66 11.43 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.424 178.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 95.0 m -91.75 120.39 32.44 Favored 'General case' 0 N--CA 1.428 -1.556 0 CA-C-O 121.09 0.471 . . . . 0.0 110.229 174.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.292 -1.892 0 CA-C-O 121.603 0.716 . . . . 0.0 111.785 -178.632 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 . . . . . 0 N--CA 1.435 -1.217 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 . . . . . 0 C--O 1.246 0.873 0 CA-C-O 122.578 1.18 . . . . 0.0 109.885 177.535 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.992 0 CA-C-O 119.854 -0.414 . . . . 0.0 113.884 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p . . . . . 0 N--CA 1.443 -0.814 0 CA-C-N 117.916 0.858 . . . . 0.0 110.581 -177.441 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 . . . . . 0 N--CA 1.414 -2.252 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.52 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 21.8 m -96.05 134.78 38.68 Favored 'General case' 0 C--N 1.286 -2.182 0 C-N-CA 118.389 -1.324 . . . . 0.0 109.07 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.0 t -125.74 134.05 67.59 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.254 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.717 -175.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 67.9 m -104.45 127.14 52.08 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 172.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -167.87 149.37 5.37 Favored 'General case' 0 C--N 1.29 -2.008 0 CA-C-N 114.798 -1.092 . . . . 0.0 108.218 -173.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? 66.4 15.63 10.16 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 122.066 0.936 . . . . 0.0 110.283 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.46 -4.49 76.7 Favored Glycine 0 N--CA 1.425 -2.087 0 CA-C-N 115.102 -0.953 . . . . 0.0 113.486 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.7 m -127.78 169.35 19.33 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-N 117.753 0.776 . . . . 0.0 110.194 -176.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 62.0 m -121.64 135.6 54.97 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -133.61 135.51 44.26 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.917 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.52 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 70.8 m -91.32 117.95 30.09 Favored 'General case' 0 N--CA 1.417 -2.078 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 173.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.292 -1.915 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.586 -173.101 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 . . . . . 0 N--CA 1.433 -1.311 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 . . . . . 0 CA--C 1.545 0.767 0 CA-C-O 123.068 1.414 . . . . 0.0 109.512 -178.433 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.592 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 C--N 1.307 -1.257 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 . . . . . 0 N--CA 1.431 -1.41 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 18.1 m -101.8 139.59 37.23 Favored 'General case' 0 C--N 1.283 -2.298 0 CA-C-O 121.669 0.747 . . . . 0.0 111.312 -173.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.0 t -120.56 156.06 23.75 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 85.1 m -131.96 141.36 49.28 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -147.56 123.76 10.84 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 55.52 36.53 27.33 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.55 1.14 . . . . 0.0 110.932 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.85 -8.32 70.26 Favored Glycine 0 N--CA 1.435 -1.422 0 CA-C-N 115.673 -0.694 . . . . 0.0 113.643 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.3 t -100.58 128.14 52.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -179.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 80.7 m -107.55 144.94 33.84 Favored 'General case' 0 C--N 1.29 -1.997 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.835 -176.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -140.32 132.75 28.49 Favored 'General case' 0 N--CA 1.417 -2.086 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.28 -175.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 77.4 m -97.97 114.07 26.09 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 121.558 0.694 . . . . 0.0 110.365 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 t . . . . . 0 C--N 1.295 -1.771 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.229 -171.306 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 . . . . . 0 CA--C 1.496 -1.112 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 72.0 ttt180 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 122.945 1.355 . . . . 0.0 109.766 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.31 0 CA-C-O 120.16 -0.244 . . . . 0.0 113.175 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.0 p -98.61 120.16 47.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 118.878 -1.129 . . . . 0.0 110.767 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.429 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 4.6 mmp_? -122.16 138.68 54.38 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 178.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 32.0 m -104.56 130.25 52.55 Favored 'General case' 0 C--N 1.282 -2.356 0 C-N-CA 118.972 -1.091 . . . . 0.0 109.41 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.8 t -119.24 127.78 75.84 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.635 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.198 -175.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 85.2 m -104.83 134.1 48.53 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -150.06 112.95 4.81 Favored 'General case' 0 C--N 1.287 -2.148 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.251 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 49.45 54.38 11.08 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 125.9 1.68 . . . . 0.0 112.133 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.78 -12.35 65.93 Favored Glycine 0 N--CA 1.429 -1.786 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.476 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 66.3 t -105.32 121.69 57.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 117.78 0.79 . . . . 0.0 109.008 -178.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 96.6 m -108.77 120.29 42.06 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 176.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -125.05 120.43 31.46 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.359 -173.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 93.8 m -86.42 120.53 27.85 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 170.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.3 p -132.19 141.2 45.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.815 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.024 -174.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.446 ' HE ' ' HA ' ' A' ' 17' ' ' ARG . 1.2 mmp_? -109.78 85.67 2.15 Favored 'General case' 0 C--N 1.29 -2.019 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 . . . . . 0 N--CA 1.472 0.627 0 C-N-CA 125.058 1.343 . . . . 0.0 111.404 178.102 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.874 0 CA-C-O 120.682 0.045 . . . . 0.0 113.013 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.6 t -90.32 101.88 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.927 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -124.76 146.03 49.41 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 18.3 m -104.58 139.21 39.79 Favored 'General case' 0 C--N 1.284 -2.261 0 C-N-CA 118.989 -1.085 . . . . 0.0 110.901 -176.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.4 t -122.68 129.02 75.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 59.2 m -104.98 131.48 52.44 Favored 'General case' 0 C--N 1.293 -1.87 0 C-N-CA 119.784 -0.766 . . . . 0.0 110.372 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -161.16 145.82 13.66 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 115.012 -0.994 . . . . 0.0 108.918 -175.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 60.84 29.13 18.82 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 125.274 1.43 . . . . 0.0 110.383 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 7.66 87.1 Favored Glycine 0 N--CA 1.436 -1.321 0 CA-C-N 115.152 -0.931 . . . . 0.0 114.001 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.0 m -125.82 166.38 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 117.889 0.845 . . . . 0.0 108.936 178.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 77.5 m -123.58 123.65 41.06 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -178.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -111.82 129.06 56.27 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.381 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.3 m -96.09 114.53 26.25 Favored 'General case' 0 N--CA 1.42 -1.974 0 CA-C-O 121.876 0.846 . . . . 0.0 110.009 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.2 t -107.76 125.76 64.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.443 -171.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -97.33 98.99 10.44 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 . . . . . 0 CA--C 1.541 0.597 0 CA-C-O 122.221 1.01 . . . . 0.0 110.059 179.612 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.517 0 N-CA-C 112.652 -0.179 . . . . 0.0 112.652 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.4 t -95.33 100.41 10.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -131.63 145.7 51.81 Favored 'General case' 0 N--CA 1.417 -2.088 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 -177.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 6.5 m -100.59 134.96 42.78 Favored 'General case' 0 C--N 1.28 -2.423 0 C-N-CA 119.404 -0.918 . . . . 0.0 110.871 -173.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.9 t -106.8 126.68 62.72 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.069 0 CA-C-N 114.37 -1.286 . . . . 0.0 108.011 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 84.5 m -103.93 129.9 51.5 Favored 'General case' 0 N--CA 1.421 -1.879 0 CA-C-O 121.234 0.54 . . . . 0.0 110.253 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -149.04 122.3 8.97 Favored 'General case' 0 C--N 1.283 -2.315 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.515 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 58.88 41.09 21.89 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 124.475 1.11 . . . . 0.0 110.681 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.59 -3.49 73.79 Favored Glycine 0 N--CA 1.438 -1.213 0 CA-C-N 114.96 -1.018 . . . . 0.0 113.538 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.4 t -103.65 122.64 56.55 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.186 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 73.6 m -105.52 119.26 38.66 Favored 'General case' 0 C--N 1.285 -2.233 0 C-N-CA 119.27 -0.972 . . . . 0.0 108.609 175.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -115.24 126.32 54.39 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.705 -176.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.0 m -87.55 121.32 29.83 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.297 0.57 . . . . 0.0 110.934 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.6 t -128.49 144.56 37.54 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.261 -174.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -90.89 81.35 5.71 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 . . . . . 0 CA--C 1.537 0.452 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.343 -179.759 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.94 0 N-CA-C 113.99 0.356 . . . . 0.0 113.99 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 76.5 t -103.25 128.77 55.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 117.35 0.575 . . . . 0.0 111.234 -175.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -116.27 138.92 50.9 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 47.0 m -112.55 143.93 42.89 Favored 'General case' 0 C--N 1.288 -2.102 0 C-N-CA 119.132 -1.027 . . . . 0.0 110.559 -178.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.3 t -127.63 123.21 60.83 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 78.6 m -104.55 142.46 34.6 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 120.639 0.257 . . . . 0.0 110.492 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -149.34 118.62 6.83 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-O 121.024 0.44 . . . . 0.0 111.5 -176.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 55.13 37.21 28.54 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.481 1.512 . . . . 0.0 111.947 174.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.72 -15.09 56.04 Favored Glycine 0 N--CA 1.426 -2.014 0 C-N-CA 120.31 -0.947 . . . . 0.0 114.435 176.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.3 m -108.83 160.1 7.89 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.033 0 CA-C-N 118.284 1.042 . . . . 0.0 108.863 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 86.6 m -129.66 124.87 34.7 Favored 'General case' 0 N--CA 1.413 -2.308 0 CA-C-O 121.744 0.783 . . . . 0.0 110.848 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -109.24 104.26 13.37 Favored 'General case' 0 C--N 1.288 -2.1 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.582 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 92.5 m -85.86 130.81 34.44 Favored 'General case' 0 N--CA 1.417 -2.078 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 172.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -140.22 130.19 28.68 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 CA-C-O 121.489 0.661 . . . . 0.0 111.173 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -125.77 119.81 28.92 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 . . . . . 0 CA--C 1.55 0.966 0 CA-C-O 122.203 1.001 . . . . 0.0 111.271 177.401 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.804 0 N-CA-C 113.277 0.071 . . . . 0.0 113.277 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.1 t -111.68 135.72 50.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 O-C-N 122.038 -0.684 . . . . 0.0 109.438 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -154.88 136.8 14.56 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.5 m -104.34 142.73 34.05 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 120.146 -0.621 . . . . 0.0 110.353 176.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.76 144.8 35.74 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 61.5 m -122.2 139.85 53.28 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 119.859 -0.736 . . . . 0.0 109.75 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -150.05 123.24 8.9 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 64.99 31.37 11.3 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 122.44 1.114 . . . . 0.0 110.126 178.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.59 -4.89 76.63 Favored Glycine 0 N--CA 1.438 -1.188 0 CA-C-N 114.913 -1.039 . . . . 0.0 112.346 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.3 t -103.05 122.65 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.391 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -177.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 82.5 m -96.68 139.87 32.11 Favored 'General case' 0 N--CA 1.412 -2.361 0 CA-C-O 121.882 0.849 . . . . 0.0 109.98 -178.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -129.86 108.39 10.11 Favored 'General case' 0 C--N 1.269 -2.928 0 CA-C-N 114.419 -1.264 . . . . 0.0 107.604 -174.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 86.2 m -93.62 121.24 34.85 Favored 'General case' 0 CA--C 1.486 -1.5 0 CA-C-O 121.376 0.608 . . . . 0.0 111.751 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.0 t -98.98 109.12 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.142 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -168.4 158.46 9.75 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 114.7 -1.136 . . . . 0.0 108.361 -174.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 . . . . . 0 N--CA 1.473 0.69 0 C-N-CA 124.551 1.14 . . . . 0.0 109.643 -179.582 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.426 0 N-CA-C 113.645 0.218 . . . . 0.0 113.645 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.2 t -95.67 123.26 47.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.0 tpm_? -84.66 110.42 18.73 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.28 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 30.1 m -96.1 137.5 35.08 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 119.122 -1.031 . . . . 0.0 109.213 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.3 p -137.41 141.09 40.63 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.323 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.885 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 81.3 m -113.78 128.76 56.54 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 174.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -149.96 129.65 13.2 Favored 'General case' 0 C--N 1.281 -2.408 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.435 -176.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 64.84 22.26 12.48 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.085 0.954 . . . . 0.0 110.943 175.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.58 2.5 76.0 Favored Glycine 0 N--CA 1.433 -1.539 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.145 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.9 t -109.03 121.86 62.79 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 89.4 m -101.78 132.44 47.52 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 175.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -145.19 126.95 15.29 Favored 'General case' 0 N--CA 1.42 -1.954 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.549 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 84.3 m -87.37 116.41 25.45 Favored 'General case' 0 N--CA 1.418 -2.027 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 172.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.0 t -114.07 128.93 70.82 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.101 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.345 -176.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -102.14 95.56 6.41 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.086 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 . . . . . 0 C--N 1.318 -0.792 0 CA-C-O 122.397 1.094 . . . . 0.0 109.911 177.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.325 0 N-CA-C 113.392 0.117 . . . . 0.0 113.392 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 93.3 t -89.6 107.04 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.198 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.453 ' HA ' ' O ' ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -154.58 137.96 15.84 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.7 m -98.66 142.21 30.51 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.587 176.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.9 t -129.73 129.87 66.51 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.82 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 81.2 m -104.42 133.41 49.34 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -160.46 135.74 7.96 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.278 -175.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 62.89 20.6 12.32 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-O 122.278 1.037 . . . . 0.0 111.326 173.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.45 -6.89 65.82 Favored Glycine 0 N--CA 1.43 -1.716 0 CA-C-N 115.536 -0.757 . . . . 0.0 113.779 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.0 m -116.5 154.65 18.07 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.931 0 O-C-N 122.088 -0.654 . . . . 0.0 109.471 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 83.5 m -119.23 120.43 37.01 Favored 'General case' 0 C--N 1.284 -2.273 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -110.93 125.24 53.47 Favored 'General case' 0 C--N 1.291 -1.938 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 87.8 m -93.81 114.3 26.53 Favored 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 119.371 -0.932 . . . . 0.0 111.43 176.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 59.6 t -88.79 121.15 38.61 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 CA-C-N 114.789 -1.096 . . . . 0.0 108.99 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -138.88 124.26 19.32 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 120.8 0.333 . . . . 0.0 111.301 -174.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 . . . . . 0 C--O 1.241 0.617 0 C-N-CA 124.63 1.172 . . . . 0.0 110.95 177.855 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.749 0 CA-C-O 120.173 -0.237 . . . . 0.0 113.017 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 64.1 t -80.99 107.48 13.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.051 0.453 . . . . 0.0 110.69 -175.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -139.26 157.03 46.61 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 177.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 16.7 m -111.28 145.34 38.95 Favored 'General case' 0 C--N 1.283 -2.29 0 C-N-CA 119.716 -0.793 . . . . 0.0 111.384 -174.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.1 t -106.13 115.76 48.48 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.6 m -111.69 129.05 56.23 Favored 'General case' 0 CA--C 1.479 -1.783 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -163.75 141.41 7.32 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.585 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 61.88 21.31 12.18 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-O 122.526 1.155 . . . . 0.0 110.778 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.46 0.71 84.28 Favored Glycine 0 N--CA 1.43 -1.766 0 CA-C-N 115.452 -0.795 . . . . 0.0 113.676 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.6 p -114.5 146.64 18.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.8 m -122.19 145.19 48.44 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.7 ttp85 -138.25 125.28 21.37 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 68.4 m -90.12 122.08 32.76 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 120.854 0.359 . . . . 0.0 111.294 -178.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.8 t -127.88 131.5 69.65 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.255 -176.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -85.01 94.79 8.9 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -175.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 . . . . . 0 CA--C 1.543 0.687 0 CA-C-O 122.419 1.104 . . . . 0.0 109.284 179.893 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.982 0 N-CA-C 113.768 0.267 . . . . 0.0 113.768 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.4 t -112.35 134.61 54.31 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -105.44 118.59 36.96 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.3 m -95.13 144.18 25.97 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.184 -173.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.3 t -110.48 127.31 67.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 62.6 m -104.66 129.1 52.87 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 174.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -160.33 144.17 13.99 Favored 'General case' 0 C--N 1.285 -2.219 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -174.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 67.65 22.46 9.03 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 121.902 0.858 . . . . 0.0 110.011 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.71 7.87 88.16 Favored Glycine 0 N--CA 1.435 -1.409 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.225 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.5 t -125.96 142.62 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 96.6 m -102.16 136.66 41.6 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 121.13 0.49 . . . . 0.0 110.443 176.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -136.32 121.1 18.55 Favored 'General case' 0 N--CA 1.428 -1.549 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.556 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.7 m -87.09 125.81 34.37 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 121.403 0.621 . . . . 0.0 111.24 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.1 t -126.76 138.11 55.79 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 -87.66 108.91 19.31 Favored 'General case' 0 N--CA 1.424 -1.744 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.302 -173.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 CA--C 1.544 0.713 0 CA-C-N 114.484 -1.235 . . . . 0.0 110.57 -179.214 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.901 0 CA-C-O 121.145 0.303 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t -92.31 119.59 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.28 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -177.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -127.83 133.55 49.39 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 55.7 m -101.65 143.95 30.97 Favored 'General case' 0 C--N 1.287 -2.124 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.189 177.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.4 p -144.96 150.24 16.22 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 60.7 m -115.6 137.09 52.42 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.453 0.644 . . . . 0.0 110.128 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -134.96 117.94 16.34 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.668 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 66.9 19.21 10.65 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-O 121.799 0.809 . . . . 0.0 111.295 174.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.59 10.3 67.77 Favored Glycine 0 N--CA 1.434 -1.485 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 -177.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.8 t -111.46 123.63 67.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 78.5 m -103.4 129.89 50.6 Favored 'General case' 0 C--N 1.28 -2.44 0 CA-C-O 121.312 0.577 . . . . 0.0 110.239 -176.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -128.35 126.28 40.4 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.572 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 99.8 m -90.91 121.12 32.48 Favored 'General case' 0 N--CA 1.414 -2.264 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 173.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.6 p -121.83 122.2 66.23 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.36 0 CA-C-O 121.635 0.731 . . . . 0.0 111.916 -174.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -118.24 128.88 55.11 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 . . . . . 0 N--CA 1.477 0.911 0 CA-C-O 122.809 1.29 . . . . 0.0 109.296 -177.16 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.94 0 N-CA-C 113.423 0.129 . . . . 0.0 113.423 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 99.6 t -110.76 119.32 59.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.458 ' HA ' ' HA ' ' A' ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -112.35 143.49 43.36 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 -178.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 37.6 m -101.01 143.56 31.0 Favored 'General case' 0 C--N 1.285 -2.207 0 C-N-CA 119.291 -0.963 . . . . 0.0 109.377 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.03 137.44 57.17 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.165 0 CA-C-N 115.279 -0.873 . . . . 0.0 108.756 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 60.5 m -104.49 136.2 44.48 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.664 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -146.7 118.91 8.3 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 114.801 -1.09 . . . . 0.0 108.306 -177.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 60.96 34.4 19.44 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.49 1.116 . . . . 0.0 110.691 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.65 2.88 82.28 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.299 -0.864 . . . . 0.0 113.179 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.0 t -105.14 129.23 58.2 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.255 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 85.5 m -107.78 118.78 37.65 Favored 'General case' 0 N--CA 1.415 -2.218 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.558 -178.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -106.71 127.94 53.79 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 114.229 -1.351 . . . . 0.0 108.736 -174.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.2 m -98.52 120.21 38.56 Favored 'General case' 0 C--N 1.288 -2.097 0 C-N-CA 119.662 -0.815 . . . . 0.0 110.518 178.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 p -134.48 132.81 54.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.409 -173.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . 0.458 ' HA ' ' HA ' ' A' ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -118.1 124.59 48.43 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.4 ttm105 . . . . . 0 CA--C 1.559 1.317 0 CA-C-O 122.777 1.275 . . . . 0.0 111.578 179.394 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.359 0 N-CA-C 112.6 -0.2 . . . . 0.0 112.6 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t -86.71 111.38 21.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -177.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -122.15 133.99 54.74 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 175.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.8 m -102.36 143.28 32.31 Favored 'General case' 0 C--N 1.285 -2.198 0 C-N-CA 119.288 -0.965 . . . . 0.0 108.977 176.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.2 p -138.76 133.08 41.37 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.096 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.57 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 75.3 m -108.45 132.8 53.42 Favored 'General case' 0 CA--C 1.488 -1.436 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 174.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -150.75 131.21 13.8 Favored 'General case' 0 C--N 1.273 -2.757 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -178.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.555 ' HA ' ' NE ' ' A' ' 9' ' ' ARG . 1.3 tpm_? 61.16 26.43 16.32 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.901 0.88 . . . . 0.0 111.689 178.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.1 -1.08 82.54 Favored Glycine 0 N--CA 1.435 -1.425 0 CA-C-N 116.008 -0.542 . . . . 0.0 113.629 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.7 p -115.67 143.59 25.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 79.5 m -120.01 134.82 55.14 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.168 0.508 . . . . 0.0 110.966 -176.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -129.81 128.83 43.13 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.175 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.2 m -97.32 113.46 25.1 Favored 'General case' 0 N--CA 1.418 -2.053 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 173.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.9 p -110.95 122.95 66.37 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.549 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.716 -172.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HD2' ' HA ' ' A' ' 17' ' ' ARG . 15.9 tpt180 -95.4 112.01 23.79 Favored 'General case' 0 N--CA 1.416 -2.163 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -173.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 . . . . . 0 CA--C 1.537 0.455 0 CA-C-O 122.525 1.155 . . . . 0.0 109.067 -179.256 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.887 0 N-CA-C 113.994 0.358 . . . . 0.0 113.994 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.9 t -108.75 126.48 65.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 117.634 0.717 . . . . 0.0 110.734 -176.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.407 ' HA ' ' HA ' ' A' ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -111.37 134.11 53.19 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.0 m -96.15 160.59 14.36 Favored 'General case' 0 C--N 1.285 -2.232 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -166.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.9 p -142.07 139.72 30.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.791 176.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 64.6 m -104.78 136.68 43.83 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.298 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -155.9 134.12 11.48 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.739 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 63.14 22.85 13.62 Favored 'General case' 0 CA--C 1.558 1.273 0 CA-C-O 122.302 1.049 . . . . 0.0 110.966 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.78 3.67 90.39 Favored Glycine 0 N--CA 1.441 -0.987 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.812 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.0 t -108.16 123.1 63.48 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.761 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 99.0 m -96.46 119.25 34.61 Favored 'General case' 0 N--CA 1.414 -2.243 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 177.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -115.89 119.34 35.65 Favored 'General case' 0 N--CA 1.417 -2.121 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.248 -172.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.8 m -90.72 121.18 32.39 Favored 'General case' 0 N--CA 1.415 -2.193 0 CA-C-O 121.22 0.533 . . . . 0.0 109.66 176.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.8 t -118.45 128.07 75.44 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.981 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.13 -175.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . 0.407 ' HA ' ' HA ' ' A' ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -120.06 121.86 39.81 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.246 -175.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.4 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 27.0 tpt180 . . . . . 0 C--N 1.317 -0.835 0 CA-C-N 113.944 -1.48 . . . . 0.0 109.509 -175.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.48 0 N-CA-C 113.282 0.073 . . . . 0.0 113.282 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.7 t -96.32 126.5 48.95 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -106.58 133.94 50.49 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 13.3 m -103.07 134.98 45.59 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 118.878 -1.129 . . . . 0.0 110.357 -178.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.9 t -112.31 128.23 69.06 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.437 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 60.4 m -103.69 129.79 51.09 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.277 178.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -144.86 121.24 10.96 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.611 -176.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.42 ' HA ' ' NE ' ' A' ' 9' ' ' ARG . 5.0 tpm_? 61.65 33.95 17.87 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.44 1.114 . . . . 0.0 110.47 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.73 -0.22 89.62 Favored Glycine 0 N--CA 1.436 -1.304 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.824 178.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.8 t -105.54 122.6 59.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 100.0 m -100.49 119.72 38.92 Favored 'General case' 0 C--N 1.285 -2.23 0 CA-C-O 121.61 0.719 . . . . 0.0 109.111 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -115.58 123.71 49.14 Favored 'General case' 0 C--N 1.288 -2.098 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.554 -175.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.8 m -92.1 119.46 31.79 Favored 'General case' 0 N--CA 1.424 -1.773 0 CA-C-O 121.469 0.652 . . . . 0.0 110.368 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.7 t -119.09 139.88 44.94 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.428 -175.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -90.98 98.64 11.9 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -177.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 . . . . . 0 CA--C 1.542 0.652 0 C-N-CA 124.102 0.961 . . . . 0.0 110.497 178.24 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.036 0 N-CA-C 114.307 0.483 . . . . 0.0 114.307 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t -94.52 122.59 46.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 117.327 0.564 . . . . 0.0 110.073 -176.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -135.08 143.69 46.79 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 -178.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 21.0 m -102.28 143.86 31.52 Favored 'General case' 0 C--N 1.295 -1.803 0 C-N-CA 119.133 -1.027 . . . . 0.0 111.161 -175.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.5 t -119.77 129.83 74.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 63.6 m -105.11 129.41 53.53 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 120.213 -0.595 . . . . 0.0 109.989 177.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -148.15 131.68 16.75 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.982 -175.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 60.69 17.82 7.92 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.429 1.092 . . . . 0.0 113.218 173.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.28 14.31 45.38 Favored Glycine 0 N--CA 1.422 -2.258 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.078 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.4 p -134.27 144.29 35.68 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 175.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 77.8 m -112.2 121.63 45.47 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-O 121.701 0.762 . . . . 0.0 109.626 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -108.08 115.66 30.54 Favored 'General case' 0 C--N 1.28 -2.414 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.934 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.5 m -85.97 123.36 31.21 Favored 'General case' 0 C--N 1.287 -2.148 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 175.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 p -133.86 146.14 32.17 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.887 -173.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -112.75 120.48 41.64 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.291 -177.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 . . . . . 0 C--O 1.238 0.457 0 CA-C-N 114.064 -1.426 . . . . 0.0 109.468 -175.69 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.343 0 N-CA-C 112.749 -0.141 . . . . 0.0 112.749 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.1 t -104.65 138.46 29.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -174.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -92.34 146.15 23.92 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 17.6 m -107.42 130.56 54.8 Favored 'General case' 0 C--N 1.279 -2.458 0 C-N-CA 118.792 -1.163 . . . . 0.0 109.985 -179.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.4 p -110.01 138.58 37.06 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.514 0 CA-C-N 114.51 -1.223 . . . . 0.0 108.71 -178.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.1 m -121.44 136.89 54.91 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.249 0.547 . . . . 0.0 110.693 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -138.28 120.27 15.51 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 115.406 -0.816 . . . . 0.0 108.87 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 61.5 15.42 6.69 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.2 1.4 . . . . 0.0 111.771 -177.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.87 -0.56 59.25 Favored Glycine 0 N--CA 1.429 -1.826 0 O-C-N 121.762 -0.586 . . . . 0.0 112.447 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.5 t -100.75 123.98 54.06 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.1 m -113.48 150.94 32.13 Favored 'General case' 0 C--N 1.285 -2.236 0 CA-C-O 121.222 0.534 . . . . 0.0 111.079 -172.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -141.32 131.24 24.46 Favored 'General case' 0 N--CA 1.414 -2.265 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.603 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 82.4 m -94.35 116.74 29.16 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 176.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.82 135.59 63.25 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.33 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.116 -173.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.2 mtt-85 -111.67 133.92 53.59 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.24 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 . . . . . 0 CA--C 1.541 0.61 0 CA-C-O 122.883 1.325 . . . . 0.0 108.551 -175.874 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.668 0 CA-C-O 120.689 0.049 . . . . 0.0 113.089 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.8 t -98.82 121.04 48.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -177.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -119.2 136.95 53.95 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -176.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 13.7 m -100.23 133.68 44.28 Favored 'General case' 0 N--CA 1.424 -1.738 0 C-N-CA 119.484 -0.886 . . . . 0.0 110.573 -178.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -106.48 129.28 60.14 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 CA-C-N 114.312 -1.313 . . . . 0.0 107.737 -177.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.3 m -113.87 140.39 48.39 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.652 -176.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -166.11 141.27 4.66 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.686 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 58.73 31.13 20.86 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.277 1.031 . . . . 0.0 111.91 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.57 3.6 83.82 Favored Glycine 0 N--CA 1.431 -1.67 0 CA-C-N 115.836 -0.62 . . . . 0.0 113.937 176.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.6 m -126.66 160.4 34.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 117.717 0.759 . . . . 0.0 109.646 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.5 m -132.19 130.62 41.28 Favored 'General case' 0 N--CA 1.418 -2.035 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -111.08 124.81 52.93 Favored 'General case' 0 C--N 1.288 -2.075 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 78.4 m -88.29 118.4 27.87 Favored 'General case' 0 N--CA 1.425 -1.676 0 CA-C-O 121.58 0.705 . . . . 0.0 110.345 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.5 t -110.63 139.58 33.63 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.923 0 CA-C-N 114.415 -1.266 . . . . 0.0 110.061 -173.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -79.41 82.78 5.51 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 113.733 -1.576 . . . . 0.0 108.485 -170.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 . . . . . 0 C--N 1.32 -0.689 0 C-N-CA 124.922 1.289 . . . . 0.0 110.954 179.562 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.079 0 CA-C-O 119.758 -0.468 . . . . 0.0 113.888 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.3 m -95.3 134.67 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.502 0 CA-C-N 118.151 0.975 . . . . 0.0 111.836 -177.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -83.19 113.59 20.76 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 55.6 m -100.48 137.83 38.36 Favored 'General case' 0 C--N 1.281 -2.374 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.762 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -124.72 136.06 61.94 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.398 0 CA-C-N 114.658 -1.156 . . . . 0.0 107.964 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.6 m -125.13 131.18 53.31 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -144.38 128.65 17.79 Favored 'General case' 0 C--N 1.287 -2.111 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.843 -175.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 59.95 27.24 16.59 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.382 1.073 . . . . 0.0 110.986 178.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.99 5.17 83.78 Favored Glycine 0 N--CA 1.44 -1.1 0 C-N-CA 120.997 -0.621 . . . . 0.0 113.094 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.5 t -110.93 137.01 45.2 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.3 m -116.81 146.94 42.54 Favored 'General case' 0 C--N 1.293 -1.859 0 C-N-CA 119.935 -0.706 . . . . 0.0 111.247 -178.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -142.53 119.66 11.43 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.424 178.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 95.0 m -91.75 120.39 32.44 Favored 'General case' 0 N--CA 1.428 -1.556 0 CA-C-O 121.09 0.471 . . . . 0.0 110.229 174.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -118.33 118.51 58.28 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.892 0 CA-C-O 121.603 0.716 . . . . 0.0 111.785 -178.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -125.82 119.72 28.62 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 -178.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 . . . . . 0 C--O 1.246 0.873 0 CA-C-O 122.578 1.18 . . . . 0.0 109.885 177.535 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.992 0 CA-C-O 119.854 -0.414 . . . . 0.0 113.884 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p -105.54 130.34 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-N 117.916 0.858 . . . . 0.0 110.581 -177.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -109.36 132.44 54.12 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 -178.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.52 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 21.8 m -96.05 134.78 38.68 Favored 'General case' 0 C--N 1.286 -2.182 0 C-N-CA 118.389 -1.324 . . . . 0.0 109.07 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.0 t -125.74 134.05 67.59 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.254 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.717 -175.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 67.9 m -104.45 127.14 52.08 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 172.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -167.87 149.37 5.37 Favored 'General case' 0 C--N 1.29 -2.008 0 CA-C-N 114.798 -1.092 . . . . 0.0 108.218 -173.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? 66.4 15.63 10.16 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 122.066 0.936 . . . . 0.0 110.283 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.46 -4.49 76.7 Favored Glycine 0 N--CA 1.425 -2.087 0 CA-C-N 115.102 -0.953 . . . . 0.0 113.486 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.7 m -127.78 169.35 19.33 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-N 117.753 0.776 . . . . 0.0 110.194 -176.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 62.0 m -121.64 135.6 54.97 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -133.61 135.51 44.26 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.917 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.52 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 70.8 m -91.32 117.95 30.09 Favored 'General case' 0 N--CA 1.417 -2.078 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 173.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.4 p -133.81 136.26 54.21 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.586 -173.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -103.31 127.36 50.67 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 . . . . . 0 CA--C 1.545 0.767 0 CA-C-O 123.068 1.414 . . . . 0.0 109.512 -178.433 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.592 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.7 t -118.78 128.55 75.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -109.32 145.73 35.51 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 18.1 m -101.8 139.59 37.23 Favored 'General case' 0 C--N 1.283 -2.298 0 CA-C-O 121.669 0.747 . . . . 0.0 111.312 -173.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.0 t -120.56 156.06 23.75 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 85.1 m -131.96 141.36 49.28 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -147.56 123.76 10.84 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 55.52 36.53 27.33 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.55 1.14 . . . . 0.0 110.932 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.85 -8.32 70.26 Favored Glycine 0 N--CA 1.435 -1.422 0 CA-C-N 115.673 -0.694 . . . . 0.0 113.643 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.3 t -100.58 128.14 52.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -179.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 80.7 m -107.55 144.94 33.84 Favored 'General case' 0 C--N 1.29 -1.997 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.835 -176.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -140.32 132.75 28.49 Favored 'General case' 0 N--CA 1.417 -2.086 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.28 -175.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 77.4 m -97.97 114.07 26.09 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 121.558 0.694 . . . . 0.0 110.365 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 t -121.25 141.1 43.2 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.229 -171.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -131.16 131.84 44.35 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 72.0 ttt180 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 122.945 1.355 . . . . 0.0 109.766 -178.025 . . . . . . . . 1 1 . 1 stop_ save_