data_2m79_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 2m79 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.3 t70 . . . . . 0 CA--C 1.506 -0.713 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 70.2 m -95.52 130.0 42.51 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-O 121.67 0.748 . . . . 0.0 112.419 -175.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -132.34 137.6 47.46 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 114.508 -1.223 . . . . 0.0 108.977 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.2 m -100.47 128.88 46.41 Favored 'General case' 0 C--N 1.297 -1.685 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.937 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 75.1 mt -135.1 159.81 40.33 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 114.975 -1.011 . . . . 0.0 108.626 -175.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 64.8 m -116.25 126.56 53.76 Favored 'General case' 0 C--N 1.293 -1.85 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.389 176.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -113.64 101.56 9.44 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.294 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 63.47 21.11 12.61 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.759 1.224 . . . . 0.0 112.512 174.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.5 -21.63 10.56 Favored Glycine 0 C--N 1.298 -1.562 0 N-CA-C 111.812 -0.515 . . . . 0.0 111.812 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -90.34 107.51 19.19 Favored 'General case' 0 CA--C 1.494 -1.211 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 69.0 m -85.28 124.58 32.07 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-O 121.885 0.85 . . . . 0.0 109.765 176.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -142.66 150.02 39.66 Favored 'General case' 0 C--N 1.27 -2.856 0 CA-C-N 113.96 -1.473 . . . . 0.0 108.79 -172.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 66.9 m -105.45 118.1 35.7 Favored 'General case' 0 C--N 1.287 -2.125 0 C-N-CA 119.435 -0.906 . . . . 0.0 110.022 178.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.3 tp -102.68 136.64 34.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 62.8 m -112.4 126.32 55.16 Favored 'General case' 0 C--N 1.285 -2.202 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.406 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.296 -1.73 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -179.438 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 CA--C 1.484 -1.584 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.9 m -94.85 134.36 37.56 Favored 'General case' 0 N--CA 1.406 -2.673 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.901 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -134.11 130.79 37.89 Favored 'General case' 0 C--N 1.277 -2.581 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.964 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.8 m -103.9 128.91 51.38 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-O 121.402 0.62 . . . . 0.0 110.845 -179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -120.94 145.74 47.39 Favored 'General case' 0 C--N 1.279 -2.464 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.547 -177.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.6 m -110.56 128.16 55.53 Favored 'General case' 0 C--N 1.282 -2.363 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -140.65 124.46 17.17 Favored 'General case' 0 N--CA 1.424 -1.756 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -175.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 64.92 20.84 12.22 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.268 0.627 . . . . 0.0 112.662 176.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.64 -8.43 74.25 Favored Glycine 0 C--N 1.303 -1.283 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.532 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -100.5 119.08 37.96 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.9 m -94.96 130.17 41.7 Favored 'General case' 0 CA--C 1.467 -2.226 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.212 176.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.5 ttm-85 -141.95 151.26 42.4 Favored 'General case' 0 C--N 1.268 -2.936 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.863 -174.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.7 m -113.36 141.68 46.77 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 119.503 -0.879 . . . . 0.0 111.783 -176.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.5 tt -126.87 143.17 41.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.9 m -116.99 135.88 53.36 Favored 'General case' 0 C--N 1.29 -1.989 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.912 178.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m . . . . . 0 C--N 1.301 -1.521 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.504 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 CA--C 1.491 -1.323 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.6 m -99.3 134.99 41.36 Favored 'General case' 0 C--N 1.287 -2.14 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.58 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -135.41 138.4 43.23 Favored 'General case' 0 C--N 1.288 -2.106 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.273 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 62.9 m -110.01 138.14 46.79 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 119.828 -0.749 . . . . 0.0 111.297 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.5 tp -134.08 144.68 48.76 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.526 -177.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 34.2 m -109.47 129.4 55.56 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -134.35 126.1 28.94 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.533 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 67.98 6.71 5.33 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.063 1.345 . . . . 0.0 112.052 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.07 -2.84 33.4 Favored Glycine 0 N--CA 1.437 -1.273 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.848 -176.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -104.78 123.54 47.83 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.9 m -93.72 122.32 36.06 Favored 'General case' 0 CA--C 1.471 -2.059 0 CA-C-O 122.034 0.921 . . . . 0.0 109.548 176.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -133.04 139.91 47.44 Favored 'General case' 0 C--N 1.263 -3.184 0 CA-C-N 113.835 -1.53 . . . . 0.0 108.367 -173.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 65.9 m -104.57 143.52 32.94 Favored 'General case' 0 C--N 1.292 -1.934 0 C-N-CA 119.523 -0.871 . . . . 0.0 112.025 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.4 tp -124.12 134.56 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.6 m -115.93 137.62 51.93 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 120.552 -0.459 . . . . 0.0 109.981 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.305 -1.337 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.919 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.7 t70 . . . . . 0 CA--C 1.506 -0.718 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.8 m -90.3 121.89 32.71 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 122.42 1.105 . . . . 0.0 111.135 177.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -113.23 121.31 44.07 Favored 'General case' 0 C--N 1.268 -2.953 0 CA-C-N 113.198 -1.819 . . . . 0.0 107.621 -176.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.4 m -100.68 136.58 40.32 Favored 'General case' 0 C--N 1.28 -2.425 0 C-N-CA 119.019 -1.072 . . . . 0.0 111.78 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.5 tp -117.22 106.56 13.43 Favored 'General case' 0 C--N 1.28 -2.427 0 CA-C-N 114.263 -1.335 . . . . 0.0 107.749 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.8 m -103.0 118.57 37.11 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -143.32 142.45 31.32 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -177.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 63.07 23.22 13.86 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.778 1.231 . . . . 0.0 111.002 178.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.26 22.81 72.63 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.856 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -134.18 123.95 25.21 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.7 m -95.52 131.19 41.96 Favored 'General case' 0 CA--C 1.481 -1.678 0 CA-C-O 121.89 0.852 . . . . 0.0 113.001 -178.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -127.47 128.38 45.63 Favored 'General case' 0 C--N 1.28 -2.45 0 CA-C-N 113.954 -1.476 . . . . 0.0 108.675 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.1 m -110.12 129.7 55.66 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-O 121.513 0.673 . . . . 0.0 112.132 -176.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.6 mm -105.25 126.99 60.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.2 m -111.51 115.02 28.51 Favored 'General case' 0 C--N 1.284 -2.244 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.479 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.4 m . . . . . 0 C--N 1.294 -1.835 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.03 -177.174 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 N--CA 1.451 -0.411 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.8 m -97.11 125.25 41.46 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 118.803 -1.159 . . . . 0.0 111.759 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -115.62 121.98 44.22 Favored 'General case' 0 C--N 1.287 -2.113 0 CA-C-N 114.033 -1.439 . . . . 0.0 108.931 -177.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 64.3 m -93.71 133.83 36.67 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.517 0.675 . . . . 0.0 112.078 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.3 tp -131.32 145.99 52.1 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-N 114.629 -1.168 . . . . 0.0 108.889 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 60.3 m -117.24 135.72 53.6 Favored 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 119.509 -0.877 . . . . 0.0 109.457 177.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -132.25 118.2 19.19 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 66.91 13.61 9.51 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.702 0.801 . . . . 0.0 111.896 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.37 -15.91 57.17 Favored Glycine 0 C--N 1.306 -1.13 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -176.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -82.84 105.82 14.16 Favored 'General case' 0 C--O 1.255 1.346 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 63.7 m -87.43 134.67 33.56 Favored 'General case' 0 CA--C 1.481 -1.7 0 CA-C-O 121.697 0.761 . . . . 0.0 111.18 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -143.22 148.09 35.88 Favored 'General case' 0 C--N 1.282 -2.344 0 CA-C-N 114.488 -1.233 . . . . 0.0 108.975 -178.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.0 m -110.4 125.52 53.32 Favored 'General case' 0 N--CA 1.417 -2.075 0 CA-C-O 121.828 0.823 . . . . 0.0 111.684 -178.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.0 mt -102.32 116.4 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.962 0 CA-C-N 114.525 -1.216 . . . . 0.0 107.826 -177.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.5 m -97.69 121.39 39.54 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 120.515 -0.474 . . . . 0.0 109.759 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.4 m . . . . . 0 C--N 1.301 -1.525 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 179.539 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 . . . . . 0 CA--C 1.485 -1.521 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.0 m -105.05 139.01 40.36 Favored 'General case' 0 C--N 1.278 -2.504 0 C-N-CA 118.49 -1.284 . . . . 0.0 110.992 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -112.81 102.23 10.26 Favored 'General case' 0 C--N 1.285 -2.228 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 176.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 77.9 m -95.27 123.98 39.07 Favored 'General case' 0 C--N 1.29 -2.017 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.188 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.0 mt -133.13 151.6 51.98 Favored 'General case' 0 C--N 1.277 -2.562 0 CA-C-N 114.23 -1.35 . . . . 0.0 109.778 -176.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 78.8 m -113.99 123.37 49.55 Favored 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -124.15 111.93 16.49 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.449 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 62.44 28.71 16.95 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 173.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.03 3.64 63.63 Favored Glycine 0 C--N 1.292 -1.88 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.851 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -112.29 106.82 15.47 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.0 m -82.37 130.89 35.2 Favored 'General case' 0 CA--C 1.482 -1.653 0 CA-C-O 122.131 0.967 . . . . 0.0 110.3 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -136.83 134.7 37.24 Favored 'General case' 0 C--N 1.266 -3.053 0 CA-C-N 113.558 -1.655 . . . . 0.0 110.428 -169.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.2 m -109.74 118.22 35.96 Favored 'General case' 0 C--N 1.281 -2.41 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.656 174.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.1 mt -102.78 116.26 46.19 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.99 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.9 m -106.68 132.64 52.43 Favored 'General case' 0 C--N 1.293 -1.853 0 C-N-CA 119.645 -0.822 . . . . 0.0 110.883 -176.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 C--N 1.309 -1.191 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 -179.341 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.4 t70 . . . . . 0 CA--C 1.498 -1.021 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 60.3 m -105.06 130.65 53.21 Favored 'General case' 0 N--CA 1.413 -2.282 0 CA-C-O 121.955 0.883 . . . . 0.0 112.011 -177.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -121.13 128.95 53.03 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-N 114.185 -1.371 . . . . 0.0 108.115 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 27.7 m -95.54 122.65 38.5 Favored 'General case' 0 N--CA 1.414 -2.227 0 CA-C-O 122.281 1.038 . . . . 0.0 111.35 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.408 HD13 HD13 ' A' ' 15' ' ' ILE . 95.6 mt -116.12 140.35 49.38 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 113.169 -1.832 . . . . 0.0 108.803 -177.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 56.3 m -103.11 137.03 41.82 Favored 'General case' 0 C--N 1.291 -1.978 0 C-N-CA 119.537 -0.865 . . . . 0.0 112.423 -177.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -126.61 104.13 7.94 Favored 'General case' 0 N--CA 1.432 -1.375 0 CA-C-N 114.221 -1.354 . . . . 0.0 108.661 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.406 ' HE ' ' HB2' ' A' ' 9' ' ' ARG . 38.0 mtm180 67.06 17.48 10.45 Favored 'General case' 0 N--CA 1.498 1.962 0 C-N-CA 124.21 1.004 . . . . 0.0 110.501 179.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.08 -12.53 62.16 Favored Glycine 0 N--CA 1.437 -1.293 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -176.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -85.81 111.61 20.33 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 57.5 m -91.24 129.53 37.22 Favored 'General case' 0 C--N 1.281 -2.373 0 C-N-CA 118.537 -1.265 . . . . 0.0 111.414 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -123.6 132.27 53.83 Favored 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 114.069 -1.423 . . . . 0.0 109.645 -175.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.3 m -94.5 110.89 22.65 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-O 122.07 0.938 . . . . 0.0 111.028 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.408 HD13 HD13 ' A' ' 6' ' ' LEU . 58.8 mt -102.07 124.92 56.26 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.445 -176.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 52.2 m -103.06 132.93 48.96 Favored 'General case' 0 C--N 1.286 -2.172 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.32 -176.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.426 -1.661 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.494 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.4 t70 . . . . . 0 N--CA 1.443 -0.781 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.6 m -91.94 136.6 33.04 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.725 0.774 . . . . 0.0 112.615 -174.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -131.93 137.45 47.96 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 114.391 -1.277 . . . . 0.0 108.089 -173.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 63.2 m -108.1 128.92 55.11 Favored 'General case' 0 C--N 1.286 -2.168 0 C-N-CA 118.892 -1.123 . . . . 0.0 111.353 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.9 mp -112.29 141.03 46.5 Favored 'General case' 0 C--N 1.286 -2.152 0 CA-C-N 114.485 -1.234 . . . . 0.0 107.812 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.9 m -115.09 132.16 56.69 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.205 -0.998 . . . . 0.0 111.426 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -128.74 115.67 18.33 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 65.04 19.71 11.9 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.828 0.851 . . . . 0.0 111.798 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.6 -9.06 68.94 Favored Glycine 0 C--N 1.308 -1.019 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.186 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -98.76 128.09 44.89 Favored 'General case' 0 CA--C 1.493 -1.24 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 176.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.3 m -103.01 139.29 38.77 Favored 'General case' 0 C--N 1.283 -2.283 0 C-N-CA 118.851 -1.14 . . . . 0.0 112.238 -175.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -123.2 131.15 53.57 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 114.608 -1.178 . . . . 0.0 108.296 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.1 m -105.13 120.93 42.74 Favored 'General case' 0 C--N 1.287 -2.139 0 C-N-CA 119.963 -0.695 . . . . 0.0 110.828 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.2 pt -108.78 167.44 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.277 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.3 m -128.87 125.74 38.29 Favored 'General case' 0 C--N 1.282 -2.343 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.649 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.426 -1.671 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.44 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.6 t70 . . . . . 0 CA--C 1.512 -0.497 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 38.9 m -94.94 134.1 37.97 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -173.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 70.9 mtm180 -138.36 172.58 12.68 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -175.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 29.5 m -113.2 129.84 56.4 Favored 'General case' 0 N--CA 1.415 -2.192 0 C-N-CA 118.66 -1.216 . . . . 0.0 112.093 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.4 mt -120.67 162.08 20.3 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 114.465 -1.243 . . . . 0.0 107.962 -174.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 41.2 m -115.82 134.4 55.05 Favored 'General case' 0 C--N 1.284 -2.267 0 C-N-CA 119.209 -0.996 . . . . 0.0 110.493 178.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -114.91 100.71 8.41 Favored 'General case' 0 N--CA 1.422 -1.855 0 CA-C-N 115.041 -0.981 . . . . 0.0 108.446 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 61.55 16.55 7.73 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.416 1.086 . . . . 0.0 112.985 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.15 -24.66 7.72 Favored Glycine 0 C--N 1.311 -0.823 0 C-N-CA 121.236 -0.506 . . . . 0.0 112.497 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -86.6 113.74 22.75 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 177.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 56.9 m -90.06 127.49 36.08 Favored 'General case' 0 C--N 1.294 -1.828 0 C-N-CA 119.692 -0.803 . . . . 0.0 110.856 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 -147.85 147.81 30.2 Favored 'General case' 0 C--N 1.284 -2.279 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.118 -172.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 23.4 m -90.64 129.8 36.72 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -172.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.6 mm -132.92 150.18 32.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 -174.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 34.3 m -97.14 141.14 30.63 Favored 'General case' 0 C--N 1.294 -1.832 0 C-N-CA 119.322 -0.951 . . . . 0.0 111.801 -177.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.431 -1.377 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -176.889 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 CA--C 1.498 -1.053 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.1 m -104.74 135.18 46.6 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.174 0.511 . . . . 0.0 111.03 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.9 mtm-85 -139.32 134.47 32.58 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.392 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 74.5 m -99.3 121.49 41.16 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-O 122.133 0.968 . . . . 0.0 109.328 173.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.4 tp -106.77 111.56 24.13 Favored 'General case' 0 C--N 1.259 -3.339 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.747 -176.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 80.6 m -94.42 118.66 31.97 Favored 'General case' 0 N--CA 1.422 -1.832 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.09 174.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -116.27 105.46 12.58 Favored 'General case' 0 N--CA 1.42 -1.956 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.682 -176.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 61.65 27.82 17.14 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 121.705 0.764 . . . . 0.0 112.423 178.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.16 -21.18 40.63 Favored Glycine 0 C--N 1.287 -2.19 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.133 178.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -89.78 119.63 30.34 Favored 'General case' 0 CA--C 1.495 -1.148 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 58.9 m -96.31 129.46 43.64 Favored 'General case' 0 N--CA 1.419 -2.008 0 CA-C-O 122.351 1.072 . . . . 0.0 112.617 -176.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -117.18 118.48 32.43 Favored 'General case' 0 C--N 1.271 -2.829 0 CA-C-N 113.282 -1.781 . . . . 0.0 108.003 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 90.8 m -99.39 123.91 44.06 Favored 'General case' 0 C--N 1.277 -2.582 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.159 175.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.6 tt -137.45 145.19 29.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.154 -176.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.1 m -112.82 143.67 43.67 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 C--N 1.3 -1.573 0 CA-C-O 120.9 0.381 . . . . 0.0 109.982 177.174 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.7 t70 . . . . . 0 CA--C 1.5 -0.962 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 69.8 m -101.41 133.54 45.88 Favored 'General case' 0 C--N 1.288 -2.087 0 CA-C-O 121.44 0.638 . . . . 0.0 111.246 -178.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -116.19 151.39 35.81 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 84.8 m -117.32 136.74 52.91 Favored 'General case' 0 C--N 1.286 -2.183 0 C-N-CA 119.273 -0.971 . . . . 0.0 111.558 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.7 tp -123.81 145.93 48.71 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.314 -174.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 70.8 m -132.16 125.78 32.03 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 177.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -136.44 122.77 20.6 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 120.92 0.391 . . . . 0.0 110.872 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 64.5 19.74 11.91 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.591 1.157 . . . . 0.0 112.3 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.28 -15.59 56.14 Favored Glycine 0 N--CA 1.436 -1.323 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -86.75 109.95 19.58 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 120.764 0.316 . . . . 0.0 110.384 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.6 m -95.05 132.86 39.48 Favored 'General case' 0 CA--C 1.479 -1.764 0 CA-C-O 121.938 0.875 . . . . 0.0 110.776 177.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -144.98 138.02 26.51 Favored 'General case' 0 C--N 1.269 -2.904 0 CA-C-N 114.128 -1.396 . . . . 0.0 109.606 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.2 m -98.81 142.89 29.77 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.628 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.8 tt -124.82 135.46 63.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.4 m -108.92 138.28 45.51 Favored 'General case' 0 C--N 1.291 -1.949 0 C-N-CA 119.785 -0.766 . . . . 0.0 111.136 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 m . . . . . 0 C--N 1.315 -0.926 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.793 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 CA--C 1.495 -1.145 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.3 m -101.54 117.79 35.64 Favored 'General case' 0 CA--C 1.478 -1.813 0 C-N-CA 119.233 -0.987 . . . . 0.0 110.895 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -114.97 104.11 11.58 Favored 'General case' 0 C--N 1.26 -3.303 0 CA-C-N 113.574 -1.648 . . . . 0.0 106.885 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 57.4 m -93.03 134.11 35.5 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.344 0.593 . . . . 0.0 112.574 -175.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.9 mt -125.16 140.17 53.11 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.429 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.1 m -117.08 145.72 43.57 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.774 -0.77 . . . . 0.0 111.651 -176.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -134.36 109.13 8.59 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 61.93 22.2 12.87 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.707 0.803 . . . . 0.0 112.961 175.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.69 -26.27 13.23 Favored Glycine 0 C--N 1.287 -2.181 0 C-N-CA 120.222 -0.99 . . . . 0.0 112.756 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -90.48 132.02 35.9 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 119.786 -0.766 . . . . 0.0 108.953 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.3 m -108.43 136.27 48.33 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.85 0.833 . . . . 0.0 112.621 -176.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -117.55 136.42 53.28 Favored 'General case' 0 C--N 1.286 -2.169 0 CA-C-N 114.111 -1.404 . . . . 0.0 107.437 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 93.1 m -105.41 130.92 53.4 Favored 'General case' 0 C--N 1.275 -2.668 0 C-N-CA 119.232 -0.987 . . . . 0.0 111.16 178.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.6 mm -101.15 94.76 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.194 0 N-CA-C 105.246 -2.131 . . . . 0.0 105.246 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.6 m -96.95 113.54 25.09 Favored 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.038 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.401 -2.89 0 CA-C-O 121.923 0.868 . . . . 0.0 112.273 -176.199 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 CA--C 1.492 -1.285 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 38.3 m -94.32 117.48 30.18 Favored 'General case' 0 N--CA 1.423 -1.808 0 CA-C-O 122.46 1.124 . . . . 0.0 111.626 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -108.71 137.56 46.44 Favored 'General case' 0 C--N 1.28 -2.424 0 CA-C-N 113.348 -1.751 . . . . 0.0 109.063 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 65.4 m -103.31 140.1 37.86 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 119.764 -0.774 . . . . 0.0 112.866 -174.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.5 mt -123.5 159.49 28.97 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 -178.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 59.1 m -131.64 135.14 46.69 Favored 'General case' 0 C--N 1.291 -1.959 0 C-N-CA 119.327 -0.949 . . . . 0.0 110.34 177.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -136.23 123.22 21.47 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 176.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 67.01 19.79 10.51 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.594 0.758 . . . . 0.0 110.993 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.65 -5.89 84.18 Favored Glycine 0 C--N 1.307 -1.081 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -95.56 111.31 23.25 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.8 m -91.34 130.33 37.21 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 121.814 0.816 . . . . 0.0 112.231 -177.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -131.69 147.23 52.49 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-N 113.92 -1.491 . . . . 0.0 108.254 -176.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.8 m -113.48 142.35 46.02 Favored 'General case' 0 C--N 1.293 -1.887 0 C-N-CA 118.811 -1.155 . . . . 0.0 111.867 -174.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.0 tt -118.06 131.35 71.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.047 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 61.3 m -98.46 134.71 41.07 Favored 'General case' 0 C--N 1.286 -2.158 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.851 -178.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.3 m . . . . . 0 N--CA 1.433 -1.31 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 178.233 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 CA--C 1.49 -1.338 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.8 m -91.87 121.32 33.37 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 122.165 0.983 . . . . 0.0 110.297 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -122.34 130.15 52.85 Favored 'General case' 0 C--N 1.267 -3.008 0 CA-C-N 113.978 -1.465 . . . . 0.0 109.378 -174.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 86.3 m -99.58 135.06 41.56 Favored 'General case' 0 C--N 1.29 -2.017 0 C-N-CA 119.424 -0.911 . . . . 0.0 110.236 177.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.2 tp -130.3 136.54 49.25 Favored 'General case' 0 C--N 1.285 -2.202 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.461 -177.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.4 m -103.78 126.54 50.98 Favored 'General case' 0 C--N 1.286 -2.179 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.994 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -144.5 136.4 25.98 Favored 'General case' 0 N--CA 1.432 -1.329 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -176.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 65.24 18.48 11.41 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.264 1.025 . . . . 0.0 110.399 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.68 -14.81 64.04 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.551 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -103.21 145.53 29.8 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -176.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.4 m -104.68 127.38 52.42 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 118.602 -1.239 . . . . 0.0 111.989 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -113.65 143.01 45.29 Favored 'General case' 0 C--N 1.279 -2.482 0 CA-C-N 113.818 -1.537 . . . . 0.0 108.389 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.1 m -113.71 124.42 52.25 Favored 'General case' 0 C--N 1.282 -2.33 0 C-N-CA 119.48 -0.888 . . . . 0.0 109.851 175.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.2 tt -117.05 128.05 74.52 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.94 -177.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.4 m -99.31 120.99 40.46 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 120.461 -0.495 . . . . 0.0 109.736 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 C--N 1.303 -1.413 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -177.535 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.4 t70 . . . . . 0 CA--C 1.492 -1.278 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.2 m -97.94 126.33 43.29 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-O 121.783 0.802 . . . . 0.0 111.075 -178.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -110.53 128.5 55.67 Favored 'General case' 0 C--N 1.28 -2.429 0 CA-C-N 114.154 -1.385 . . . . 0.0 107.302 -177.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.1 m -101.88 128.87 48.07 Favored 'General case' 0 C--N 1.283 -2.287 0 C-N-CA 119.3 -0.96 . . . . 0.0 112.062 -178.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.6 tp -110.42 116.86 32.17 Favored 'General case' 0 C--N 1.273 -2.728 0 CA-C-N 113.91 -1.495 . . . . 0.0 108.186 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.4 m -114.79 123.14 48.45 Favored 'General case' 0 C--N 1.282 -2.344 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.28 178.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -130.78 113.19 13.8 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 120.922 0.391 . . . . 0.0 110.887 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 60.85 24.94 14.88 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.182 1.393 . . . . 0.0 112.534 174.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.38 -26.02 9.4 Favored Glycine 0 N--CA 1.423 -2.197 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.363 178.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -85.04 107.25 17.06 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.787 0.293 . . . . 0.0 111.009 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 92.9 m -94.61 127.1 40.33 Favored 'General case' 0 CA--C 1.473 -2.018 0 CA-C-O 121.99 0.9 . . . . 0.0 110.754 175.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -128.81 119.95 25.43 Favored 'General case' 0 C--N 1.261 -3.267 0 CA-C-N 113.62 -1.627 . . . . 0.0 109.157 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.3 m -100.4 116.14 31.67 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 121.516 0.674 . . . . 0.0 110.87 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.2 mt -107.64 139.86 28.04 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 -178.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.7 m -110.19 137.45 47.91 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.808 -176.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.1 m . . . . . 0 C--N 1.306 -1.296 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.02 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 . . . . . 0 CA--C 1.486 -1.505 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.2 m -102.14 122.73 44.71 Favored 'General case' 0 C--N 1.285 -2.228 0 C-N-CA 119.596 -0.842 . . . . 0.0 109.681 175.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -113.22 124.26 52.11 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-N 113.97 -1.468 . . . . 0.0 108.48 -174.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.4 m -104.19 130.31 51.95 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 119.636 -0.826 . . . . 0.0 112.427 -177.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -119.66 133.31 55.69 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.011 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.0 m -107.21 128.2 54.2 Favored 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 119.773 -0.771 . . . . 0.0 109.46 176.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.7 mtm-85 -125.29 105.1 8.86 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.739 -178.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 55.32 28.95 12.09 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 174.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.32 -28.73 6.18 Favored Glycine 0 C--N 1.281 -2.481 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.122 177.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -96.4 124.85 40.53 Favored 'General case' 0 N--CA 1.421 -1.916 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.079 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.6 m -102.24 127.4 49.21 Favored 'General case' 0 CA--C 1.472 -2.04 0 CA-C-O 121.775 0.798 . . . . 0.0 109.919 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -132.87 146.78 52.11 Favored 'General case' 0 C--N 1.266 -3.032 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.721 -176.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 63.5 m -115.58 132.52 56.6 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-O 121.292 0.568 . . . . 0.0 111.336 -178.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tp -112.52 132.98 59.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 177.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.2 m -104.7 134.61 47.57 Favored 'General case' 0 C--N 1.288 -2.084 0 C-N-CA 120.004 -0.679 . . . . 0.0 110.202 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.426 -1.651 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -179.476 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 . . . . . 0 CA--C 1.483 -1.629 0 CA-C-O 121.014 0.435 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 56.6 m -87.65 129.55 35.09 Favored 'General case' 0 N--CA 1.417 -2.095 0 CA-C-O 121.852 0.834 . . . . 0.0 110.931 -178.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -130.62 139.73 50.4 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-N 114.132 -1.394 . . . . 0.0 108.862 -174.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 39.6 m -103.55 126.47 50.72 Favored 'General case' 0 C--N 1.291 -1.97 0 CA-C-O 122.029 0.919 . . . . 0.0 113.047 -173.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -123.46 139.1 54.37 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 114.001 -1.454 . . . . 0.0 108.772 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.2 m -122.87 139.18 54.3 Favored 'General case' 0 C--N 1.293 -1.891 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.927 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -131.86 129.6 40.6 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 176.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 65.76 12.16 8.11 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.578 0.751 . . . . 0.0 112.454 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.78 -13.67 62.22 Favored Glycine 0 C--N 1.313 -0.7 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -175.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -87.16 114.8 24.08 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 123.239 0.616 . . . . 0.0 109.648 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.7 m -96.07 143.6 27.07 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -177.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -140.64 132.12 26.93 Favored 'General case' 0 C--N 1.287 -2.129 0 CA-C-N 114.071 -1.422 . . . . 0.0 109.267 176.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.7 m -98.62 110.44 23.03 Favored 'General case' 0 C--N 1.289 -2.065 0 C-N-CA 119.386 -0.926 . . . . 0.0 109.626 175.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.9 tp -102.43 137.13 31.54 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 36.1 m -97.8 134.03 41.51 Favored 'General case' 0 N--CA 1.41 -2.449 0 C-N-CA 120.016 -0.674 . . . . 0.0 110.145 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.428 -1.562 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -178.945 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.5 t70 . . . . . 0 C--O 1.247 0.935 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.6 m -108.25 148.51 29.88 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -175.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -137.48 132.59 33.53 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 177.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.1 m -95.36 141.85 28.44 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.547 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 pp -150.67 162.02 41.49 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.089 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.9 m -126.32 136.79 53.18 Favored 'General case' 0 C--N 1.283 -2.294 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -147.06 135.54 21.87 Favored 'General case' 0 N--CA 1.421 -1.876 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 65.78 14.26 9.44 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.442 1.097 . . . . 0.0 113.269 177.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.98 3.93 57.87 Favored Glycine 0 C--N 1.303 -1.284 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -122.28 137.56 54.8 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.2 m -105.38 143.44 33.55 Favored 'General case' 0 CA--C 1.49 -1.343 0 CA-C-O 121.239 0.542 . . . . 0.0 111.732 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -155.5 152.08 28.46 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.264 177.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.2 m -108.06 118.26 36.3 Favored 'General case' 0 C--N 1.289 -2.04 0 C-N-CA 119.786 -0.765 . . . . 0.0 109.401 177.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.4 tt -103.48 144.43 14.03 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -175.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.1 m -117.1 154.71 30.53 Favored 'General case' 0 C--N 1.284 -2.258 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.175 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 C--N 1.302 -1.458 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.845 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 CA--C 1.503 -0.853 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 56.3 m -93.82 117.25 29.85 Favored 'General case' 0 N--CA 1.428 -1.543 0 C-N-CA 118.649 -1.22 . . . . 0.0 110.428 178.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -108.61 145.69 34.52 Favored 'General case' 0 C--N 1.273 -2.734 0 CA-C-N 113.265 -1.789 . . . . 0.0 108.308 -171.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 63.1 m -109.12 128.34 54.92 Favored 'General case' 0 N--CA 1.411 -2.399 0 C-N-CA 118.42 -1.312 . . . . 0.0 111.604 178.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.3 tp -112.02 117.13 31.83 Favored 'General case' 0 C--N 1.282 -2.354 0 CA-C-N 114.0 -1.454 . . . . 0.0 108.076 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.1 m -107.64 131.06 54.79 Favored 'General case' 0 C--N 1.288 -2.09 0 C-N-CA 119.472 -0.891 . . . . 0.0 108.761 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -142.84 134.4 26.46 Favored 'General case' 0 N--CA 1.419 -1.977 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 72.48 -4.5 2.04 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.931 1.292 . . . . 0.0 111.72 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.89 -14.95 19.3 Favored Glycine 0 N--CA 1.43 -1.72 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -175.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -96.05 124.86 40.23 Favored 'General case' 0 C--O 1.246 0.919 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -177.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.5 m -94.39 131.6 39.89 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-O 121.911 0.863 . . . . 0.0 112.176 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -126.26 121.91 34.02 Favored 'General case' 0 C--N 1.274 -2.692 0 CA-C-N 113.945 -1.479 . . . . 0.0 108.327 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.5 m -96.29 126.14 41.29 Favored 'General case' 0 C--N 1.293 -1.875 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.224 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.8 mm -116.35 141.8 32.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 -176.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 78.5 m -96.95 115.69 27.87 Favored 'General case' 0 C--N 1.294 -1.831 0 C-N-CA 119.276 -0.97 . . . . 0.0 108.988 176.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 m . . . . . 0 N--CA 1.421 -1.889 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.744 -171.652 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.2 t70 . . . . . 0 CA--C 1.509 -0.601 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.0 m -100.24 132.72 45.45 Favored 'General case' 0 C--N 1.289 -2.028 0 C-N-CA 119.407 -0.917 . . . . 0.0 111.92 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -123.31 115.24 21.36 Favored 'General case' 0 C--N 1.28 -2.447 0 CA-C-N 114.682 -1.144 . . . . 0.0 108.662 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.0 m -93.26 131.95 37.91 Favored 'General case' 0 C--N 1.284 -2.268 0 CA-C-O 121.577 0.703 . . . . 0.0 110.484 179.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.8 tp -124.53 134.15 53.09 Favored 'General case' 0 C--N 1.277 -2.576 0 CA-C-N 114.618 -1.173 . . . . 0.0 108.719 -177.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.5 m -108.37 135.81 49.04 Favored 'General case' 0 C--N 1.296 -1.734 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.251 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -141.87 125.04 16.35 Favored 'General case' 0 N--CA 1.428 -1.556 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.537 -175.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 65.55 18.54 11.29 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.636 1.175 . . . . 0.0 111.735 177.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.29 -3.06 66.06 Favored Glycine 0 C--N 1.308 -1.015 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.468 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -108.7 137.47 46.58 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 82.8 m -104.48 136.0 44.86 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 119.224 -0.99 . . . . 0.0 112.264 -178.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -122.99 121.77 36.91 Favored 'General case' 0 C--N 1.285 -2.233 0 CA-C-N 114.106 -1.406 . . . . 0.0 109.584 -177.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 88.1 m -94.96 125.57 39.72 Favored 'General case' 0 C--N 1.284 -2.268 0 C-N-CA 119.601 -0.839 . . . . 0.0 111.101 176.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.3 mt -115.23 123.7 71.09 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.065 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.8 m -107.51 123.85 49.04 Favored 'General case' 0 C--N 1.288 -2.089 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.418 178.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 N--CA 1.419 -2.004 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.931 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.701 0 N-CA-C 111.849 -0.5 . . . . 0.0 111.849 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -94.03 109.41 21.16 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 70.2 m -95.52 130.0 42.51 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-O 121.67 0.748 . . . . 0.0 112.419 -175.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -132.34 137.6 47.46 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 114.508 -1.223 . . . . 0.0 108.977 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.2 m -100.47 128.88 46.41 Favored 'General case' 0 C--N 1.297 -1.685 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.937 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 75.1 mt -135.1 159.81 40.33 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 114.975 -1.011 . . . . 0.0 108.626 -175.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 64.8 m -116.25 126.56 53.76 Favored 'General case' 0 C--N 1.293 -1.85 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.389 176.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -113.64 101.56 9.44 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.294 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 63.47 21.11 12.61 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.759 1.224 . . . . 0.0 112.512 174.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.5 -21.63 10.56 Favored Glycine 0 C--N 1.298 -1.562 0 N-CA-C 111.812 -0.515 . . . . 0.0 111.812 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -90.34 107.51 19.19 Favored 'General case' 0 CA--C 1.494 -1.211 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 69.0 m -85.28 124.58 32.07 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-O 121.885 0.85 . . . . 0.0 109.765 176.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -142.66 150.02 39.66 Favored 'General case' 0 C--N 1.27 -2.856 0 CA-C-N 113.96 -1.473 . . . . 0.0 108.79 -172.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 66.9 m -105.45 118.1 35.7 Favored 'General case' 0 C--N 1.287 -2.125 0 C-N-CA 119.435 -0.906 . . . . 0.0 110.022 178.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.3 tp -102.68 136.64 34.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 62.8 m -112.4 126.32 55.16 Favored 'General case' 0 C--N 1.285 -2.202 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.406 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 m -120.0 119.04 32.26 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 . . . . . 0 C--N 1.317 -0.809 0 C-N-CA 124.451 1.1 . . . . 0.0 112.156 -179.245 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.926 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -92.26 111.81 23.51 Favored 'General case' 0 CA--C 1.484 -1.584 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.9 m -94.85 134.36 37.56 Favored 'General case' 0 N--CA 1.406 -2.673 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.901 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -134.11 130.79 37.89 Favored 'General case' 0 C--N 1.277 -2.581 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.964 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.8 m -103.9 128.91 51.38 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-O 121.402 0.62 . . . . 0.0 110.845 -179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -120.94 145.74 47.39 Favored 'General case' 0 C--N 1.279 -2.464 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.547 -177.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.6 m -110.56 128.16 55.53 Favored 'General case' 0 C--N 1.282 -2.363 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -140.65 124.46 17.17 Favored 'General case' 0 N--CA 1.424 -1.756 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -175.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 64.92 20.84 12.22 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.268 0.627 . . . . 0.0 112.662 176.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.64 -8.43 74.25 Favored Glycine 0 C--N 1.303 -1.283 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.532 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -100.5 119.08 37.96 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.9 m -94.96 130.17 41.7 Favored 'General case' 0 CA--C 1.467 -2.226 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.212 176.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.5 ttm-85 -141.95 151.26 42.4 Favored 'General case' 0 C--N 1.268 -2.936 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.863 -174.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.7 m -113.36 141.68 46.77 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 119.503 -0.879 . . . . 0.0 111.783 -176.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.5 tt -126.87 143.17 41.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.9 m -116.99 135.88 53.36 Favored 'General case' 0 C--N 1.29 -1.989 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.912 178.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m -141.01 121.91 14.48 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 . . . . . 0 C--N 1.315 -0.916 0 C-N-CA 125.557 1.543 . . . . 0.0 112.281 -179.099 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.04 0 N-CA-C 112.016 -0.434 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -91.2 112.86 24.95 Favored 'General case' 0 CA--C 1.491 -1.323 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.6 m -99.3 134.99 41.36 Favored 'General case' 0 C--N 1.287 -2.14 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.58 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -135.41 138.4 43.23 Favored 'General case' 0 C--N 1.288 -2.106 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.273 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 62.9 m -110.01 138.14 46.79 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 119.828 -0.749 . . . . 0.0 111.297 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.5 tp -134.08 144.68 48.76 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.526 -177.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 34.2 m -109.47 129.4 55.56 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -134.35 126.1 28.94 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.533 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 67.98 6.71 5.33 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.063 1.345 . . . . 0.0 112.052 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.07 -2.84 33.4 Favored Glycine 0 N--CA 1.437 -1.273 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.848 -176.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -104.78 123.54 47.83 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.9 m -93.72 122.32 36.06 Favored 'General case' 0 CA--C 1.471 -2.059 0 CA-C-O 122.034 0.921 . . . . 0.0 109.548 176.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -133.04 139.91 47.44 Favored 'General case' 0 C--N 1.263 -3.184 0 CA-C-N 113.835 -1.53 . . . . 0.0 108.367 -173.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 65.9 m -104.57 143.52 32.94 Favored 'General case' 0 C--N 1.292 -1.934 0 C-N-CA 119.523 -0.871 . . . . 0.0 112.025 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.4 tp -124.12 134.56 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.6 m -115.93 137.62 51.93 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 120.552 -0.459 . . . . 0.0 109.981 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.4 m -127.61 110.95 13.2 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.7 mtm-85 . . . . . 0 N--CA 1.477 0.878 0 C-N-CA 127.434 2.294 . . . . 0.0 109.752 -178.534 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.83 0 N-CA-C 112.215 -0.354 . . . . 0.0 112.215 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -122.09 109.77 14.96 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.8 m -90.3 121.89 32.71 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 122.42 1.105 . . . . 0.0 111.135 177.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -113.23 121.31 44.07 Favored 'General case' 0 C--N 1.268 -2.953 0 CA-C-N 113.198 -1.819 . . . . 0.0 107.621 -176.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.4 m -100.68 136.58 40.32 Favored 'General case' 0 C--N 1.28 -2.425 0 C-N-CA 119.019 -1.072 . . . . 0.0 111.78 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.5 tp -117.22 106.56 13.43 Favored 'General case' 0 C--N 1.28 -2.427 0 CA-C-N 114.263 -1.335 . . . . 0.0 107.749 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.8 m -103.0 118.57 37.11 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -143.32 142.45 31.32 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -177.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 63.07 23.22 13.86 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.778 1.231 . . . . 0.0 111.002 178.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.26 22.81 72.63 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.856 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -134.18 123.95 25.21 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.7 m -95.52 131.19 41.96 Favored 'General case' 0 CA--C 1.481 -1.678 0 CA-C-O 121.89 0.852 . . . . 0.0 113.001 -178.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -127.47 128.38 45.63 Favored 'General case' 0 C--N 1.28 -2.45 0 CA-C-N 113.954 -1.476 . . . . 0.0 108.675 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.1 m -110.12 129.7 55.66 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-O 121.513 0.673 . . . . 0.0 112.132 -176.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.6 mm -105.25 126.99 60.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.2 m -111.51 115.02 28.51 Favored 'General case' 0 C--N 1.284 -2.244 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.479 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.4 m -107.2 101.3 10.71 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.03 -177.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.483 0 C-N-CA 127.954 2.502 . . . . 0.0 113.113 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.643 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -126.36 130.11 50.12 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.8 m -97.11 125.25 41.46 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 118.803 -1.159 . . . . 0.0 111.759 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -115.62 121.98 44.22 Favored 'General case' 0 C--N 1.287 -2.113 0 CA-C-N 114.033 -1.439 . . . . 0.0 108.931 -177.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 64.3 m -93.71 133.83 36.67 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.517 0.675 . . . . 0.0 112.078 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.3 tp -131.32 145.99 52.1 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-N 114.629 -1.168 . . . . 0.0 108.889 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 60.3 m -117.24 135.72 53.6 Favored 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 119.509 -0.877 . . . . 0.0 109.457 177.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -132.25 118.2 19.19 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 66.91 13.61 9.51 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.702 0.801 . . . . 0.0 111.896 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.37 -15.91 57.17 Favored Glycine 0 C--N 1.306 -1.13 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -176.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -82.84 105.82 14.16 Favored 'General case' 0 C--O 1.255 1.346 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 63.7 m -87.43 134.67 33.56 Favored 'General case' 0 CA--C 1.481 -1.7 0 CA-C-O 121.697 0.761 . . . . 0.0 111.18 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -143.22 148.09 35.88 Favored 'General case' 0 C--N 1.282 -2.344 0 CA-C-N 114.488 -1.233 . . . . 0.0 108.975 -178.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.0 m -110.4 125.52 53.32 Favored 'General case' 0 N--CA 1.417 -2.075 0 CA-C-O 121.828 0.823 . . . . 0.0 111.684 -178.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.0 mt -102.32 116.4 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.962 0 CA-C-N 114.525 -1.216 . . . . 0.0 107.826 -177.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.5 m -97.69 121.39 39.54 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 120.515 -0.474 . . . . 0.0 109.759 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.4 m -149.16 147.19 28.15 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 . . . . . 0 N--CA 1.479 1.019 0 C-N-CA 124.991 1.316 . . . . 0.0 110.396 -179.671 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.138 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -106.19 139.91 39.96 Favored 'General case' 0 CA--C 1.485 -1.521 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.0 m -105.05 139.01 40.36 Favored 'General case' 0 C--N 1.278 -2.504 0 C-N-CA 118.49 -1.284 . . . . 0.0 110.992 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -112.81 102.23 10.26 Favored 'General case' 0 C--N 1.285 -2.228 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 176.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 77.9 m -95.27 123.98 39.07 Favored 'General case' 0 C--N 1.29 -2.017 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.188 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.0 mt -133.13 151.6 51.98 Favored 'General case' 0 C--N 1.277 -2.562 0 CA-C-N 114.23 -1.35 . . . . 0.0 109.778 -176.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 78.8 m -113.99 123.37 49.55 Favored 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -124.15 111.93 16.49 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.449 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 62.44 28.71 16.95 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 173.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.03 3.64 63.63 Favored Glycine 0 C--N 1.292 -1.88 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.851 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -112.29 106.82 15.47 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.0 m -82.37 130.89 35.2 Favored 'General case' 0 CA--C 1.482 -1.653 0 CA-C-O 122.131 0.967 . . . . 0.0 110.3 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -136.83 134.7 37.24 Favored 'General case' 0 C--N 1.266 -3.053 0 CA-C-N 113.558 -1.655 . . . . 0.0 110.428 -169.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.2 m -109.74 118.22 35.96 Favored 'General case' 0 C--N 1.281 -2.41 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.656 174.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.1 mt -102.78 116.26 46.19 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.99 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.9 m -106.68 132.64 52.43 Favored 'General case' 0 C--N 1.293 -1.853 0 C-N-CA 119.645 -0.822 . . . . 0.0 110.883 -176.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 m -148.36 138.17 22.31 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 . . . . . 0 N--CA 1.496 1.829 0 C-N-CA 126.054 1.741 . . . . 0.0 112.076 -179.821 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.618 0 N-CA-C 111.923 -0.471 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -103.62 135.12 45.79 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 60.3 m -105.06 130.65 53.21 Favored 'General case' 0 N--CA 1.413 -2.282 0 CA-C-O 121.955 0.883 . . . . 0.0 112.011 -177.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -121.13 128.95 53.03 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-N 114.185 -1.371 . . . . 0.0 108.115 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 27.7 m -95.54 122.65 38.5 Favored 'General case' 0 N--CA 1.414 -2.227 0 CA-C-O 122.281 1.038 . . . . 0.0 111.35 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.408 HD13 HD13 ' A' ' 15' ' ' ILE . 95.6 mt -116.12 140.35 49.38 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 113.169 -1.832 . . . . 0.0 108.803 -177.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 56.3 m -103.11 137.03 41.82 Favored 'General case' 0 C--N 1.291 -1.978 0 C-N-CA 119.537 -0.865 . . . . 0.0 112.423 -177.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -126.61 104.13 7.94 Favored 'General case' 0 N--CA 1.432 -1.375 0 CA-C-N 114.221 -1.354 . . . . 0.0 108.661 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.406 ' HE ' ' HB2' ' A' ' 9' ' ' ARG . 38.0 mtm180 67.06 17.48 10.45 Favored 'General case' 0 N--CA 1.498 1.962 0 C-N-CA 124.21 1.004 . . . . 0.0 110.501 179.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.08 -12.53 62.16 Favored Glycine 0 N--CA 1.437 -1.293 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -176.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -85.81 111.61 20.33 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 57.5 m -91.24 129.53 37.22 Favored 'General case' 0 C--N 1.281 -2.373 0 C-N-CA 118.537 -1.265 . . . . 0.0 111.414 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -123.6 132.27 53.83 Favored 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 114.069 -1.423 . . . . 0.0 109.645 -175.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.3 m -94.5 110.89 22.65 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-O 122.07 0.938 . . . . 0.0 111.028 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.408 HD13 HD13 ' A' ' 6' ' ' LEU . 58.8 mt -102.07 124.92 56.26 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.445 -176.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 52.2 m -103.06 132.93 48.96 Favored 'General case' 0 C--N 1.286 -2.172 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.32 -176.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 m -136.89 126.09 24.67 Favored 'General case' 0 N--CA 1.426 -1.661 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 . . . . . 0 N--CA 1.477 0.883 0 C-N-CA 124.569 1.148 . . . . 0.0 112.822 179.062 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.889 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -119.12 128.84 54.66 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.6 m -91.94 136.6 33.04 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.725 0.774 . . . . 0.0 112.615 -174.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -131.93 137.45 47.96 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 114.391 -1.277 . . . . 0.0 108.089 -173.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 63.2 m -108.1 128.92 55.11 Favored 'General case' 0 C--N 1.286 -2.168 0 C-N-CA 118.892 -1.123 . . . . 0.0 111.353 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.9 mp -112.29 141.03 46.5 Favored 'General case' 0 C--N 1.286 -2.152 0 CA-C-N 114.485 -1.234 . . . . 0.0 107.812 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.9 m -115.09 132.16 56.69 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.205 -0.998 . . . . 0.0 111.426 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -128.74 115.67 18.33 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 65.04 19.71 11.9 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.828 0.851 . . . . 0.0 111.798 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.6 -9.06 68.94 Favored Glycine 0 C--N 1.308 -1.019 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.186 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -98.76 128.09 44.89 Favored 'General case' 0 CA--C 1.493 -1.24 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 176.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.3 m -103.01 139.29 38.77 Favored 'General case' 0 C--N 1.283 -2.283 0 C-N-CA 118.851 -1.14 . . . . 0.0 112.238 -175.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -123.2 131.15 53.57 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 114.608 -1.178 . . . . 0.0 108.296 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.1 m -105.13 120.93 42.74 Favored 'General case' 0 C--N 1.287 -2.139 0 C-N-CA 119.963 -0.695 . . . . 0.0 110.828 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.2 pt -108.78 167.44 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.277 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.3 m -128.87 125.74 38.29 Favored 'General case' 0 C--N 1.282 -2.343 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.649 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 m -123.33 127.12 48.07 Favored 'General case' 0 N--CA 1.426 -1.671 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 . . . . . 0 N--CA 1.478 0.967 0 C-N-CA 124.579 1.152 . . . . 0.0 112.888 178.845 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.667 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -119.05 139.8 51.12 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -176.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 38.9 m -94.94 134.1 37.97 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -173.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 70.9 mtm180 -138.36 172.58 12.68 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -175.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 29.5 m -113.2 129.84 56.4 Favored 'General case' 0 N--CA 1.415 -2.192 0 C-N-CA 118.66 -1.216 . . . . 0.0 112.093 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.4 mt -120.67 162.08 20.3 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 114.465 -1.243 . . . . 0.0 107.962 -174.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 41.2 m -115.82 134.4 55.05 Favored 'General case' 0 C--N 1.284 -2.267 0 C-N-CA 119.209 -0.996 . . . . 0.0 110.493 178.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -114.91 100.71 8.41 Favored 'General case' 0 N--CA 1.422 -1.855 0 CA-C-N 115.041 -0.981 . . . . 0.0 108.446 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 61.55 16.55 7.73 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.416 1.086 . . . . 0.0 112.985 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.15 -24.66 7.72 Favored Glycine 0 C--N 1.311 -0.823 0 C-N-CA 121.236 -0.506 . . . . 0.0 112.497 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -86.6 113.74 22.75 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 177.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 56.9 m -90.06 127.49 36.08 Favored 'General case' 0 C--N 1.294 -1.828 0 C-N-CA 119.692 -0.803 . . . . 0.0 110.856 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 -147.85 147.81 30.2 Favored 'General case' 0 C--N 1.284 -2.279 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.118 -172.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 23.4 m -90.64 129.8 36.72 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -172.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.6 mm -132.92 150.18 32.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 -174.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 34.3 m -97.14 141.14 30.63 Favored 'General case' 0 C--N 1.294 -1.832 0 C-N-CA 119.322 -0.951 . . . . 0.0 111.801 -177.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 m -137.13 128.65 28.45 Favored 'General case' 0 N--CA 1.431 -1.377 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -176.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 . . . . . 0 C--N 1.318 -0.788 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 177.092 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.066 0 CA-C-O 120.474 -0.07 . . . . 0.0 113.18 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -116.6 124.97 51.12 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.1 m -104.74 135.18 46.6 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.174 0.511 . . . . 0.0 111.03 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.9 mtm-85 -139.32 134.47 32.58 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.392 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 74.5 m -99.3 121.49 41.16 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-O 122.133 0.968 . . . . 0.0 109.328 173.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.4 tp -106.77 111.56 24.13 Favored 'General case' 0 C--N 1.259 -3.339 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.747 -176.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 80.6 m -94.42 118.66 31.97 Favored 'General case' 0 N--CA 1.422 -1.832 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.09 174.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -116.27 105.46 12.58 Favored 'General case' 0 N--CA 1.42 -1.956 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.682 -176.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 61.65 27.82 17.14 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 121.705 0.764 . . . . 0.0 112.423 178.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.16 -21.18 40.63 Favored Glycine 0 C--N 1.287 -2.19 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.133 178.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -89.78 119.63 30.34 Favored 'General case' 0 CA--C 1.495 -1.148 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 58.9 m -96.31 129.46 43.64 Favored 'General case' 0 N--CA 1.419 -2.008 0 CA-C-O 122.351 1.072 . . . . 0.0 112.617 -176.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -117.18 118.48 32.43 Favored 'General case' 0 C--N 1.271 -2.829 0 CA-C-N 113.282 -1.781 . . . . 0.0 108.003 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 90.8 m -99.39 123.91 44.06 Favored 'General case' 0 C--N 1.277 -2.582 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.159 175.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.6 tt -137.45 145.19 29.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.154 -176.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.1 m -112.82 143.67 43.67 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.2 m -148.94 124.27 10.24 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 120.9 0.381 . . . . 0.0 109.982 177.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--N 1.312 -1.051 0 C-N-CA 125.592 1.557 . . . . 0.0 114.003 174.48 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.197 0 N-CA-C 111.887 -0.485 . . . . 0.0 111.887 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -108.35 138.78 44.06 Favored 'General case' 0 CA--C 1.5 -0.962 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -177.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 69.8 m -101.41 133.54 45.88 Favored 'General case' 0 C--N 1.288 -2.087 0 CA-C-O 121.44 0.638 . . . . 0.0 111.246 -178.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -116.19 151.39 35.81 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 84.8 m -117.32 136.74 52.91 Favored 'General case' 0 C--N 1.286 -2.183 0 C-N-CA 119.273 -0.971 . . . . 0.0 111.558 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.7 tp -123.81 145.93 48.71 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.314 -174.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 70.8 m -132.16 125.78 32.03 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 177.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -136.44 122.77 20.6 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 120.92 0.391 . . . . 0.0 110.872 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 64.5 19.74 11.91 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.591 1.157 . . . . 0.0 112.3 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.28 -15.59 56.14 Favored Glycine 0 N--CA 1.436 -1.323 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -86.75 109.95 19.58 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 120.764 0.316 . . . . 0.0 110.384 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.6 m -95.05 132.86 39.48 Favored 'General case' 0 CA--C 1.479 -1.764 0 CA-C-O 121.938 0.875 . . . . 0.0 110.776 177.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -144.98 138.02 26.51 Favored 'General case' 0 C--N 1.269 -2.904 0 CA-C-N 114.128 -1.396 . . . . 0.0 109.606 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.2 m -98.81 142.89 29.77 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.628 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.8 tt -124.82 135.46 63.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.4 m -108.92 138.28 45.51 Favored 'General case' 0 C--N 1.291 -1.949 0 C-N-CA 119.785 -0.766 . . . . 0.0 111.136 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 m -149.03 136.47 20.23 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 . . . . . 0 N--CA 1.476 0.871 0 C-N-CA 125.204 1.402 . . . . 0.0 112.249 -179.522 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.025 0 CA-C-O 120.416 -0.102 . . . . 0.0 113.03 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -102.54 123.47 46.34 Favored 'General case' 0 CA--C 1.495 -1.145 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.3 m -101.54 117.79 35.64 Favored 'General case' 0 CA--C 1.478 -1.813 0 C-N-CA 119.233 -0.987 . . . . 0.0 110.895 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -114.97 104.11 11.58 Favored 'General case' 0 C--N 1.26 -3.303 0 CA-C-N 113.574 -1.648 . . . . 0.0 106.885 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 57.4 m -93.03 134.11 35.5 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.344 0.593 . . . . 0.0 112.574 -175.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.9 mt -125.16 140.17 53.11 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.429 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.1 m -117.08 145.72 43.57 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.774 -0.77 . . . . 0.0 111.651 -176.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -134.36 109.13 8.59 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 61.93 22.2 12.87 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.707 0.803 . . . . 0.0 112.961 175.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.69 -26.27 13.23 Favored Glycine 0 C--N 1.287 -2.181 0 C-N-CA 120.222 -0.99 . . . . 0.0 112.756 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -90.48 132.02 35.9 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 119.786 -0.766 . . . . 0.0 108.953 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.3 m -108.43 136.27 48.33 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.85 0.833 . . . . 0.0 112.621 -176.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -117.55 136.42 53.28 Favored 'General case' 0 C--N 1.286 -2.169 0 CA-C-N 114.111 -1.404 . . . . 0.0 107.437 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 93.1 m -105.41 130.92 53.4 Favored 'General case' 0 C--N 1.275 -2.668 0 C-N-CA 119.232 -0.987 . . . . 0.0 111.16 178.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.6 mm -101.15 94.76 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.194 0 N-CA-C 105.246 -2.131 . . . . 0.0 105.246 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.6 m -96.95 113.54 25.09 Favored 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.038 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 t -126.85 118.14 24.01 Favored 'General case' 0 N--CA 1.401 -2.89 0 CA-C-O 121.923 0.868 . . . . 0.0 112.273 -176.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 . . . . . 0 C--N 1.318 -0.796 0 CA-C-N 113.249 -1.796 . . . . 0.0 113.201 175.384 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.869 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -90.21 114.07 25.99 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 38.3 m -94.32 117.48 30.18 Favored 'General case' 0 N--CA 1.423 -1.808 0 CA-C-O 122.46 1.124 . . . . 0.0 111.626 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -108.71 137.56 46.44 Favored 'General case' 0 C--N 1.28 -2.424 0 CA-C-N 113.348 -1.751 . . . . 0.0 109.063 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 65.4 m -103.31 140.1 37.86 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 119.764 -0.774 . . . . 0.0 112.866 -174.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.5 mt -123.5 159.49 28.97 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 -178.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 59.1 m -131.64 135.14 46.69 Favored 'General case' 0 C--N 1.291 -1.959 0 C-N-CA 119.327 -0.949 . . . . 0.0 110.34 177.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -136.23 123.22 21.47 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 176.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 67.01 19.79 10.51 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.594 0.758 . . . . 0.0 110.993 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.65 -5.89 84.18 Favored Glycine 0 C--N 1.307 -1.081 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -95.56 111.31 23.25 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.8 m -91.34 130.33 37.21 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 121.814 0.816 . . . . 0.0 112.231 -177.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -131.69 147.23 52.49 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-N 113.92 -1.491 . . . . 0.0 108.254 -176.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.8 m -113.48 142.35 46.02 Favored 'General case' 0 C--N 1.293 -1.887 0 C-N-CA 118.811 -1.155 . . . . 0.0 111.867 -174.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.0 tt -118.06 131.35 71.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.047 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 61.3 m -98.46 134.71 41.07 Favored 'General case' 0 C--N 1.286 -2.158 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.851 -178.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.3 m -140.58 123.34 16.29 Favored 'General case' 0 N--CA 1.433 -1.31 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 . . . . . 0 C--N 1.316 -0.865 0 C-N-CA 123.852 0.861 . . . . 0.0 112.44 -177.436 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.572 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -107.37 117.5 34.26 Favored 'General case' 0 CA--C 1.49 -1.338 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.8 m -91.87 121.32 33.37 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 122.165 0.983 . . . . 0.0 110.297 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -122.34 130.15 52.85 Favored 'General case' 0 C--N 1.267 -3.008 0 CA-C-N 113.978 -1.465 . . . . 0.0 109.378 -174.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 86.3 m -99.58 135.06 41.56 Favored 'General case' 0 C--N 1.29 -2.017 0 C-N-CA 119.424 -0.911 . . . . 0.0 110.236 177.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.2 tp -130.3 136.54 49.25 Favored 'General case' 0 C--N 1.285 -2.202 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.461 -177.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.4 m -103.78 126.54 50.98 Favored 'General case' 0 C--N 1.286 -2.179 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.994 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -144.5 136.4 25.98 Favored 'General case' 0 N--CA 1.432 -1.329 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -176.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 65.24 18.48 11.41 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.264 1.025 . . . . 0.0 110.399 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.68 -14.81 64.04 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.551 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -103.21 145.53 29.8 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -176.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.4 m -104.68 127.38 52.42 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 118.602 -1.239 . . . . 0.0 111.989 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -113.65 143.01 45.29 Favored 'General case' 0 C--N 1.279 -2.482 0 CA-C-N 113.818 -1.537 . . . . 0.0 108.389 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.1 m -113.71 124.42 52.25 Favored 'General case' 0 C--N 1.282 -2.33 0 C-N-CA 119.48 -0.888 . . . . 0.0 109.851 175.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.2 tt -117.05 128.05 74.52 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.94 -177.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.4 m -99.31 120.99 40.46 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 120.461 -0.495 . . . . 0.0 109.736 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.1 m -132.17 123.08 26.35 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -177.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 . . . . . 0 C--N 1.315 -0.899 0 C-N-CA 124.755 1.222 . . . . 0.0 112.801 178.782 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.793 0 N-CA-C 112.319 -0.312 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -102.71 128.06 49.58 Favored 'General case' 0 CA--C 1.492 -1.278 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.2 m -97.94 126.33 43.29 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-O 121.783 0.802 . . . . 0.0 111.075 -178.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -110.53 128.5 55.67 Favored 'General case' 0 C--N 1.28 -2.429 0 CA-C-N 114.154 -1.385 . . . . 0.0 107.302 -177.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.1 m -101.88 128.87 48.07 Favored 'General case' 0 C--N 1.283 -2.287 0 C-N-CA 119.3 -0.96 . . . . 0.0 112.062 -178.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.6 tp -110.42 116.86 32.17 Favored 'General case' 0 C--N 1.273 -2.728 0 CA-C-N 113.91 -1.495 . . . . 0.0 108.186 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.4 m -114.79 123.14 48.45 Favored 'General case' 0 C--N 1.282 -2.344 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.28 178.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -130.78 113.19 13.8 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 120.922 0.391 . . . . 0.0 110.887 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 60.85 24.94 14.88 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.182 1.393 . . . . 0.0 112.534 174.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.38 -26.02 9.4 Favored Glycine 0 N--CA 1.423 -2.197 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.363 178.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -85.04 107.25 17.06 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.787 0.293 . . . . 0.0 111.009 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 92.9 m -94.61 127.1 40.33 Favored 'General case' 0 CA--C 1.473 -2.018 0 CA-C-O 121.99 0.9 . . . . 0.0 110.754 175.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -128.81 119.95 25.43 Favored 'General case' 0 C--N 1.261 -3.267 0 CA-C-N 113.62 -1.627 . . . . 0.0 109.157 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.3 m -100.4 116.14 31.67 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 121.516 0.674 . . . . 0.0 110.87 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.2 mt -107.64 139.86 28.04 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 -178.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.7 m -110.19 137.45 47.91 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.808 -176.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.1 m -144.96 132.3 20.66 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 . . . . . 0 N--CA 1.477 0.911 0 C-N-CA 124.16 0.984 . . . . 0.0 111.524 -177.837 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.235 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -104.88 127.37 52.67 Favored 'General case' 0 CA--C 1.486 -1.505 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -178.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.2 m -102.14 122.73 44.71 Favored 'General case' 0 C--N 1.285 -2.228 0 C-N-CA 119.596 -0.842 . . . . 0.0 109.681 175.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -113.22 124.26 52.11 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-N 113.97 -1.468 . . . . 0.0 108.48 -174.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.4 m -104.19 130.31 51.95 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 119.636 -0.826 . . . . 0.0 112.427 -177.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -119.66 133.31 55.69 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.011 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.0 m -107.21 128.2 54.2 Favored 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 119.773 -0.771 . . . . 0.0 109.46 176.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.7 mtm-85 -125.29 105.1 8.86 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.739 -178.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 55.32 28.95 12.09 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 174.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.32 -28.73 6.18 Favored Glycine 0 C--N 1.281 -2.481 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.122 177.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -96.4 124.85 40.53 Favored 'General case' 0 N--CA 1.421 -1.916 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.079 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.6 m -102.24 127.4 49.21 Favored 'General case' 0 CA--C 1.472 -2.04 0 CA-C-O 121.775 0.798 . . . . 0.0 109.919 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -132.87 146.78 52.11 Favored 'General case' 0 C--N 1.266 -3.032 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.721 -176.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 63.5 m -115.58 132.52 56.6 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-O 121.292 0.568 . . . . 0.0 111.336 -178.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tp -112.52 132.98 59.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 177.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.2 m -104.7 134.61 47.57 Favored 'General case' 0 C--N 1.288 -2.084 0 C-N-CA 120.004 -0.679 . . . . 0.0 110.202 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 m -130.25 112.61 13.5 Favored 'General case' 0 N--CA 1.426 -1.651 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 . . . . . 0 N--CA 1.483 1.191 0 C-N-CA 127.655 2.382 . . . . 0.0 112.466 177.155 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.648 0 N-CA-C 112.598 -0.201 . . . . 0.0 112.598 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -108.04 126.24 52.5 Favored 'General case' 0 CA--C 1.483 -1.629 0 CA-C-O 121.014 0.435 . . . . 0.0 110.165 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 56.6 m -87.65 129.55 35.09 Favored 'General case' 0 N--CA 1.417 -2.095 0 CA-C-O 121.852 0.834 . . . . 0.0 110.931 -178.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -130.62 139.73 50.4 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-N 114.132 -1.394 . . . . 0.0 108.862 -174.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 39.6 m -103.55 126.47 50.72 Favored 'General case' 0 C--N 1.291 -1.97 0 CA-C-O 122.029 0.919 . . . . 0.0 113.047 -173.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -123.46 139.1 54.37 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 114.001 -1.454 . . . . 0.0 108.772 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.2 m -122.87 139.18 54.3 Favored 'General case' 0 C--N 1.293 -1.891 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.927 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -131.86 129.6 40.6 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 176.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 65.76 12.16 8.11 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.578 0.751 . . . . 0.0 112.454 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.78 -13.67 62.22 Favored Glycine 0 C--N 1.313 -0.7 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -175.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -87.16 114.8 24.08 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 123.239 0.616 . . . . 0.0 109.648 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.7 m -96.07 143.6 27.07 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -177.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -140.64 132.12 26.93 Favored 'General case' 0 C--N 1.287 -2.129 0 CA-C-N 114.071 -1.422 . . . . 0.0 109.267 176.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.7 m -98.62 110.44 23.03 Favored 'General case' 0 C--N 1.289 -2.065 0 C-N-CA 119.386 -0.926 . . . . 0.0 109.626 175.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.9 tp -102.43 137.13 31.54 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 36.1 m -97.8 134.03 41.51 Favored 'General case' 0 N--CA 1.41 -2.449 0 C-N-CA 120.016 -0.674 . . . . 0.0 110.145 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.4 m -141.92 131.38 23.78 Favored 'General case' 0 N--CA 1.428 -1.562 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -178.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 . . . . . 0 C--N 1.315 -0.903 0 C-N-CA 124.718 1.207 . . . . 0.0 112.699 -178.15 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.449 ' H1 ' ' C ' ' A' ' 17' ' ' THR . . . . . . . . 0 N--CA 1.436 -1.31 0 N-CA-C 111.947 -0.461 . . . . 0.0 111.947 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -102.95 138.66 39.53 Favored 'General case' 0 C--O 1.247 0.935 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.6 m -108.25 148.51 29.88 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -175.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -137.48 132.59 33.53 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 177.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.1 m -95.36 141.85 28.44 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.547 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 pp -150.67 162.02 41.49 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.089 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.9 m -126.32 136.79 53.18 Favored 'General case' 0 C--N 1.283 -2.294 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -147.06 135.54 21.87 Favored 'General case' 0 N--CA 1.421 -1.876 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 65.78 14.26 9.44 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.442 1.097 . . . . 0.0 113.269 177.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.98 3.93 57.87 Favored Glycine 0 C--N 1.303 -1.284 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -122.28 137.56 54.8 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.2 m -105.38 143.44 33.55 Favored 'General case' 0 CA--C 1.49 -1.343 0 CA-C-O 121.239 0.542 . . . . 0.0 111.732 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -155.5 152.08 28.46 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.264 177.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.2 m -108.06 118.26 36.3 Favored 'General case' 0 C--N 1.289 -2.04 0 C-N-CA 119.786 -0.765 . . . . 0.0 109.401 177.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.4 tt -103.48 144.43 14.03 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -175.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.1 m -117.1 154.71 30.53 Favored 'General case' 0 C--N 1.284 -2.258 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.175 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.449 ' C ' ' H1 ' ' A' ' 1' ' ' GLY . 23.5 m -143.28 128.01 18.2 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 . . . . . 0 N--CA 1.482 1.133 0 C-N-CA 126.486 1.914 . . . . 0.0 113.483 -176.479 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.172 0 N-CA-C 113.355 0.102 . . . . 0.0 113.355 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -137.89 144.67 41.45 Favored 'General case' 0 C--N 1.309 -1.195 0 O-C-N 121.892 -0.769 . . . . 0.0 109.621 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 56.3 m -93.82 117.25 29.85 Favored 'General case' 0 N--CA 1.428 -1.543 0 C-N-CA 118.649 -1.22 . . . . 0.0 110.428 178.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -108.61 145.69 34.52 Favored 'General case' 0 C--N 1.273 -2.734 0 CA-C-N 113.265 -1.789 . . . . 0.0 108.308 -171.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 63.1 m -109.12 128.34 54.92 Favored 'General case' 0 N--CA 1.411 -2.399 0 C-N-CA 118.42 -1.312 . . . . 0.0 111.604 178.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.3 tp -112.02 117.13 31.83 Favored 'General case' 0 C--N 1.282 -2.354 0 CA-C-N 114.0 -1.454 . . . . 0.0 108.076 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.1 m -107.64 131.06 54.79 Favored 'General case' 0 C--N 1.288 -2.09 0 C-N-CA 119.472 -0.891 . . . . 0.0 108.761 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -142.84 134.4 26.46 Favored 'General case' 0 N--CA 1.419 -1.977 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 72.48 -4.5 2.04 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.931 1.292 . . . . 0.0 111.72 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.89 -14.95 19.3 Favored Glycine 0 N--CA 1.43 -1.72 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -175.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -96.05 124.86 40.23 Favored 'General case' 0 C--O 1.246 0.919 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -177.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.5 m -94.39 131.6 39.89 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-O 121.911 0.863 . . . . 0.0 112.176 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -126.26 121.91 34.02 Favored 'General case' 0 C--N 1.274 -2.692 0 CA-C-N 113.945 -1.479 . . . . 0.0 108.327 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.5 m -96.29 126.14 41.29 Favored 'General case' 0 C--N 1.293 -1.875 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.224 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.8 mm -116.35 141.8 32.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 -176.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 78.5 m -96.95 115.69 27.87 Favored 'General case' 0 C--N 1.294 -1.831 0 C-N-CA 119.276 -0.97 . . . . 0.0 108.988 176.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.424 HG23 ' HG3' ' A' ' 18' ' ' ARG . 6.1 m -131.35 128.19 39.17 Favored 'General case' 0 N--CA 1.421 -1.889 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.744 -171.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.424 ' HG3' HG23 ' A' ' 17' ' ' THR . 82.9 mtp180 . . . . . 0 C--N 1.314 -0.964 0 C-N-CA 126.008 1.723 . . . . 0.0 115.375 174.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.74 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -129.24 136.51 50.19 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.0 m -100.24 132.72 45.45 Favored 'General case' 0 C--N 1.289 -2.028 0 C-N-CA 119.407 -0.917 . . . . 0.0 111.92 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -123.31 115.24 21.36 Favored 'General case' 0 C--N 1.28 -2.447 0 CA-C-N 114.682 -1.144 . . . . 0.0 108.662 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.0 m -93.26 131.95 37.91 Favored 'General case' 0 C--N 1.284 -2.268 0 CA-C-O 121.577 0.703 . . . . 0.0 110.484 179.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.8 tp -124.53 134.15 53.09 Favored 'General case' 0 C--N 1.277 -2.576 0 CA-C-N 114.618 -1.173 . . . . 0.0 108.719 -177.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.5 m -108.37 135.81 49.04 Favored 'General case' 0 C--N 1.296 -1.734 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.251 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -141.87 125.04 16.35 Favored 'General case' 0 N--CA 1.428 -1.556 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.537 -175.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 65.55 18.54 11.29 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.636 1.175 . . . . 0.0 111.735 177.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.29 -3.06 66.06 Favored Glycine 0 C--N 1.308 -1.015 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.468 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -108.7 137.47 46.58 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 82.8 m -104.48 136.0 44.86 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 119.224 -0.99 . . . . 0.0 112.264 -178.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -122.99 121.77 36.91 Favored 'General case' 0 C--N 1.285 -2.233 0 CA-C-N 114.106 -1.406 . . . . 0.0 109.584 -177.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 88.1 m -94.96 125.57 39.72 Favored 'General case' 0 C--N 1.284 -2.268 0 C-N-CA 119.601 -0.839 . . . . 0.0 111.101 176.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.3 mt -115.23 123.7 71.09 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.065 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.8 m -107.51 123.85 49.04 Favored 'General case' 0 C--N 1.288 -2.089 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.418 178.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.0 t -143.56 146.42 33.32 Favored 'General case' 0 N--CA 1.419 -2.004 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 . . . . . 0 CA--C 1.545 0.769 0 C-N-CA 124.864 1.265 . . . . 0.0 112.378 178.098 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.3 t70 . . . . . 0 CA--C 1.506 -0.713 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 70.2 m -95.52 130.0 42.51 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-O 121.67 0.748 . . . . 0.0 112.419 -175.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -132.34 137.6 47.46 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 114.508 -1.223 . . . . 0.0 108.977 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.2 m -100.47 128.88 46.41 Favored 'General case' 0 C--N 1.297 -1.685 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.937 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 75.1 mt -135.1 159.81 40.33 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 114.975 -1.011 . . . . 0.0 108.626 -175.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 64.8 m -116.25 126.56 53.76 Favored 'General case' 0 C--N 1.293 -1.85 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.389 176.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -113.64 101.56 9.44 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.294 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 63.47 21.11 12.61 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.759 1.224 . . . . 0.0 112.512 174.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.5 -21.63 10.56 Favored Glycine 0 C--N 1.298 -1.562 0 N-CA-C 111.812 -0.515 . . . . 0.0 111.812 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -90.34 107.51 19.19 Favored 'General case' 0 CA--C 1.494 -1.211 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 69.0 m -85.28 124.58 32.07 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-O 121.885 0.85 . . . . 0.0 109.765 176.151 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -142.66 150.02 39.66 Favored 'General case' 0 C--N 1.27 -2.856 0 CA-C-N 113.96 -1.473 . . . . 0.0 108.79 -172.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 66.9 m -105.45 118.1 35.7 Favored 'General case' 0 C--N 1.287 -2.125 0 C-N-CA 119.435 -0.906 . . . . 0.0 110.022 178.099 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.3 tp -102.68 136.64 34.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 62.8 m -112.4 126.32 55.16 Favored 'General case' 0 C--N 1.285 -2.202 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.406 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.296 -1.73 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -179.438 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 CA--C 1.484 -1.584 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 81.9 m -94.85 134.36 37.56 Favored 'General case' 0 N--CA 1.406 -2.673 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.901 178.086 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -134.11 130.79 37.89 Favored 'General case' 0 C--N 1.277 -2.581 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.964 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.8 m -103.9 128.91 51.38 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-O 121.402 0.62 . . . . 0.0 110.845 -179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.483 HD23 ' H ' ' A' ' 6' ' ' LEU . 2.4 pt? -120.94 145.74 47.39 Favored 'General case' 0 C--N 1.279 -2.464 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.547 -177.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 75.6 m -110.56 128.16 55.53 Favored 'General case' 0 C--N 1.282 -2.363 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -140.65 124.46 17.17 Favored 'General case' 0 N--CA 1.424 -1.756 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -175.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 64.92 20.84 12.22 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.268 0.627 . . . . 0.0 112.662 176.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.64 -8.43 74.25 Favored Glycine 0 C--N 1.303 -1.283 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.532 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -100.5 119.08 37.96 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 84.9 m -94.96 130.17 41.7 Favored 'General case' 0 CA--C 1.467 -2.226 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.212 176.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.5 ttm-85 -141.95 151.26 42.4 Favored 'General case' 0 C--N 1.268 -2.936 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.863 -174.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.7 m -113.36 141.68 46.77 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 119.503 -0.879 . . . . 0.0 111.783 -176.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.5 tt -126.87 143.17 41.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 78.9 m -116.99 135.88 53.36 Favored 'General case' 0 C--N 1.29 -1.989 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.912 178.376 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m . . . . . 0 C--N 1.301 -1.521 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.504 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 CA--C 1.491 -1.323 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.6 m -99.3 134.99 41.36 Favored 'General case' 0 C--N 1.287 -2.14 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.58 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -135.41 138.4 43.23 Favored 'General case' 0 C--N 1.288 -2.106 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.273 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.9 m -110.01 138.14 46.79 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 119.828 -0.749 . . . . 0.0 111.297 -179.365 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.5 tp -134.08 144.68 48.76 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.526 -177.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 34.2 m -109.47 129.4 55.56 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -134.35 126.1 28.94 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.533 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 67.98 6.71 5.33 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.063 1.345 . . . . 0.0 112.052 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.07 -2.84 33.4 Favored Glycine 0 N--CA 1.437 -1.273 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.848 -176.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -104.78 123.54 47.83 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.9 m -93.72 122.32 36.06 Favored 'General case' 0 CA--C 1.471 -2.059 0 CA-C-O 122.034 0.921 . . . . 0.0 109.548 176.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -133.04 139.91 47.44 Favored 'General case' 0 C--N 1.263 -3.184 0 CA-C-N 113.835 -1.53 . . . . 0.0 108.367 -173.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 65.9 m -104.57 143.52 32.94 Favored 'General case' 0 C--N 1.292 -1.934 0 C-N-CA 119.523 -0.871 . . . . 0.0 112.025 -177.114 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.4 tp -124.12 134.56 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.6 m -115.93 137.62 51.93 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 120.552 -0.459 . . . . 0.0 109.981 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.305 -1.337 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.919 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.7 t70 . . . . . 0 CA--C 1.506 -0.718 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 72.8 m -90.3 121.89 32.71 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 122.42 1.105 . . . . 0.0 111.135 177.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -113.23 121.31 44.07 Favored 'General case' 0 C--N 1.268 -2.953 0 CA-C-N 113.198 -1.819 . . . . 0.0 107.621 -176.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.4 m -100.68 136.58 40.32 Favored 'General case' 0 C--N 1.28 -2.425 0 C-N-CA 119.019 -1.072 . . . . 0.0 111.78 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.5 tp -117.22 106.56 13.43 Favored 'General case' 0 C--N 1.28 -2.427 0 CA-C-N 114.263 -1.335 . . . . 0.0 107.749 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 79.8 m -103.0 118.57 37.11 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -143.32 142.45 31.32 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -177.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 63.07 23.22 13.86 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.778 1.231 . . . . 0.0 111.002 178.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.26 22.81 72.63 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.856 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -134.18 123.95 25.21 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 78.7 m -95.52 131.19 41.96 Favored 'General case' 0 CA--C 1.481 -1.678 0 CA-C-O 121.89 0.852 . . . . 0.0 113.001 -178.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 19.2 mmt180 -127.47 128.38 45.63 Favored 'General case' 0 C--N 1.28 -2.45 0 CA-C-N 113.954 -1.476 . . . . 0.0 108.675 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.1 m -110.12 129.7 55.66 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-O 121.513 0.673 . . . . 0.0 112.132 -176.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.6 mm -105.25 126.99 60.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.2 m -111.51 115.02 28.51 Favored 'General case' 0 C--N 1.284 -2.244 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.479 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.4 m . . . . . 0 C--N 1.294 -1.835 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.03 -177.174 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 N--CA 1.451 -0.411 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 68.8 m -97.11 125.25 41.46 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 118.803 -1.159 . . . . 0.0 111.759 -178.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -115.62 121.98 44.22 Favored 'General case' 0 C--N 1.287 -2.113 0 CA-C-N 114.033 -1.439 . . . . 0.0 108.931 -177.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 64.3 m -93.71 133.83 36.67 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.517 0.675 . . . . 0.0 112.078 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.3 tp -131.32 145.99 52.1 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-N 114.629 -1.168 . . . . 0.0 108.889 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 60.3 m -117.24 135.72 53.6 Favored 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 119.509 -0.877 . . . . 0.0 109.457 177.211 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -132.25 118.2 19.19 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 66.91 13.61 9.51 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.702 0.801 . . . . 0.0 111.896 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.37 -15.91 57.17 Favored Glycine 0 C--N 1.306 -1.13 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -176.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -82.84 105.82 14.16 Favored 'General case' 0 C--O 1.255 1.346 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 63.7 m -87.43 134.67 33.56 Favored 'General case' 0 CA--C 1.481 -1.7 0 CA-C-O 121.697 0.761 . . . . 0.0 111.18 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -143.22 148.09 35.88 Favored 'General case' 0 C--N 1.282 -2.344 0 CA-C-N 114.488 -1.233 . . . . 0.0 108.975 -178.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.0 m -110.4 125.52 53.32 Favored 'General case' 0 N--CA 1.417 -2.075 0 CA-C-O 121.828 0.823 . . . . 0.0 111.684 -178.298 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.0 mt -102.32 116.4 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.962 0 CA-C-N 114.525 -1.216 . . . . 0.0 107.826 -177.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.5 m -97.69 121.39 39.54 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 120.515 -0.474 . . . . 0.0 109.759 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.4 m . . . . . 0 C--N 1.301 -1.525 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 179.539 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 . . . . . 0 CA--C 1.485 -1.521 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 71.0 m -105.05 139.01 40.36 Favored 'General case' 0 C--N 1.278 -2.504 0 C-N-CA 118.49 -1.284 . . . . 0.0 110.992 175.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -112.81 102.23 10.26 Favored 'General case' 0 C--N 1.285 -2.228 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 176.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 77.9 m -95.27 123.98 39.07 Favored 'General case' 0 C--N 1.29 -2.017 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.188 178.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.0 mt -133.13 151.6 51.98 Favored 'General case' 0 C--N 1.277 -2.562 0 CA-C-N 114.23 -1.35 . . . . 0.0 109.778 -176.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 78.8 m -113.99 123.37 49.55 Favored 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -124.15 111.93 16.49 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.449 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 62.44 28.71 16.95 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 173.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.03 3.64 63.63 Favored Glycine 0 C--N 1.292 -1.88 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.851 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -112.29 106.82 15.47 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 75.0 m -82.37 130.89 35.2 Favored 'General case' 0 CA--C 1.482 -1.653 0 CA-C-O 122.131 0.967 . . . . 0.0 110.3 176.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -136.83 134.7 37.24 Favored 'General case' 0 C--N 1.266 -3.053 0 CA-C-N 113.558 -1.655 . . . . 0.0 110.428 -169.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 92.2 m -109.74 118.22 35.96 Favored 'General case' 0 C--N 1.281 -2.41 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.656 174.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.1 mt -102.78 116.26 46.19 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.99 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.9 m -106.68 132.64 52.43 Favored 'General case' 0 C--N 1.293 -1.853 0 C-N-CA 119.645 -0.822 . . . . 0.0 110.883 -176.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 C--N 1.309 -1.191 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 -179.341 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.4 t70 . . . . . 0 CA--C 1.498 -1.021 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 60.3 m -105.06 130.65 53.21 Favored 'General case' 0 N--CA 1.413 -2.282 0 CA-C-O 121.955 0.883 . . . . 0.0 112.011 -177.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -121.13 128.95 53.03 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-N 114.185 -1.371 . . . . 0.0 108.115 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 27.7 m -95.54 122.65 38.5 Favored 'General case' 0 N--CA 1.414 -2.227 0 CA-C-O 122.281 1.038 . . . . 0.0 111.35 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.441 HD12 HD12 ' A' ' 15' ' ' ILE . 95.6 mt -116.12 140.35 49.38 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 113.169 -1.832 . . . . 0.0 108.803 -177.058 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 56.3 m -103.11 137.03 41.82 Favored 'General case' 0 C--N 1.291 -1.978 0 C-N-CA 119.537 -0.865 . . . . 0.0 112.423 -177.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -126.61 104.13 7.94 Favored 'General case' 0 N--CA 1.432 -1.375 0 CA-C-N 114.221 -1.354 . . . . 0.0 108.661 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.427 ' HE ' ' HB2' ' A' ' 9' ' ' ARG . 38.0 mtm180 67.06 17.48 10.45 Favored 'General case' 0 N--CA 1.498 1.962 0 C-N-CA 124.21 1.004 . . . . 0.0 110.501 179.004 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.08 -12.53 62.16 Favored Glycine 0 N--CA 1.437 -1.293 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -176.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -85.81 111.61 20.33 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 57.5 m -91.24 129.53 37.22 Favored 'General case' 0 C--N 1.281 -2.373 0 C-N-CA 118.537 -1.265 . . . . 0.0 111.414 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -123.6 132.27 53.83 Favored 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 114.069 -1.423 . . . . 0.0 109.645 -175.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.3 m -94.5 110.89 22.65 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-O 122.07 0.938 . . . . 0.0 111.028 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.441 HD12 HD12 ' A' ' 6' ' ' LEU . 58.8 mt -102.07 124.92 56.26 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.445 -176.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 52.2 m -103.06 132.93 48.96 Favored 'General case' 0 C--N 1.286 -2.172 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.32 -176.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.426 -1.661 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.494 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.4 t70 . . . . . 0 N--CA 1.443 -0.781 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 67.6 m -91.94 136.6 33.04 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.725 0.774 . . . . 0.0 112.615 -174.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -131.93 137.45 47.96 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 114.391 -1.277 . . . . 0.0 108.089 -173.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 63.2 m -108.1 128.92 55.11 Favored 'General case' 0 C--N 1.286 -2.168 0 C-N-CA 118.892 -1.123 . . . . 0.0 111.353 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.9 mp -112.29 141.03 46.5 Favored 'General case' 0 C--N 1.286 -2.152 0 CA-C-N 114.485 -1.234 . . . . 0.0 107.812 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 80.9 m -115.09 132.16 56.69 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.205 -0.998 . . . . 0.0 111.426 -177.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 8' ' ' ARG . 29.4 mmt180 -128.74 115.67 18.33 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.023 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 65.04 19.71 11.9 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.828 0.851 . . . . 0.0 111.798 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.6 -9.06 68.94 Favored Glycine 0 C--N 1.308 -1.019 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.186 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -98.76 128.09 44.89 Favored 'General case' 0 CA--C 1.493 -1.24 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 176.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 58.3 m -103.01 139.29 38.77 Favored 'General case' 0 C--N 1.283 -2.283 0 C-N-CA 118.851 -1.14 . . . . 0.0 112.238 -175.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -123.2 131.15 53.57 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 114.608 -1.178 . . . . 0.0 108.296 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.1 m -105.13 120.93 42.74 Favored 'General case' 0 C--N 1.287 -2.139 0 C-N-CA 119.963 -0.695 . . . . 0.0 110.828 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.2 pt -108.78 167.44 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.277 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 59.3 m -128.87 125.74 38.29 Favored 'General case' 0 C--N 1.282 -2.343 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.649 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.426 -1.671 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.44 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.6 t70 . . . . . 0 CA--C 1.512 -0.497 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 38.9 m -94.94 134.1 37.97 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -173.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 70.9 mtm180 -138.36 172.58 12.68 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -175.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 29.5 m -113.2 129.84 56.4 Favored 'General case' 0 N--CA 1.415 -2.192 0 C-N-CA 118.66 -1.216 . . . . 0.0 112.093 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.4 mt -120.67 162.08 20.3 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 114.465 -1.243 . . . . 0.0 107.962 -174.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 41.2 m -115.82 134.4 55.05 Favored 'General case' 0 C--N 1.284 -2.267 0 C-N-CA 119.209 -0.996 . . . . 0.0 110.493 178.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -114.91 100.71 8.41 Favored 'General case' 0 N--CA 1.422 -1.855 0 CA-C-N 115.041 -0.981 . . . . 0.0 108.446 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 61.55 16.55 7.73 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.416 1.086 . . . . 0.0 112.985 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.15 -24.66 7.72 Favored Glycine 0 C--N 1.311 -0.823 0 C-N-CA 121.236 -0.506 . . . . 0.0 112.497 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -86.6 113.74 22.75 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 177.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 56.9 m -90.06 127.49 36.08 Favored 'General case' 0 C--N 1.294 -1.828 0 C-N-CA 119.692 -0.803 . . . . 0.0 110.856 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 -147.85 147.81 30.2 Favored 'General case' 0 C--N 1.284 -2.279 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.118 -172.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 23.4 m -90.64 129.8 36.72 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -172.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.6 mm -132.92 150.18 32.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 -174.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 34.3 m -97.14 141.14 30.63 Favored 'General case' 0 C--N 1.294 -1.832 0 C-N-CA 119.322 -0.951 . . . . 0.0 111.801 -177.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.431 -1.377 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -176.889 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 CA--C 1.498 -1.053 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 84.1 m -104.74 135.18 46.6 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.174 0.511 . . . . 0.0 111.03 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.9 mtm-85 -139.32 134.47 32.58 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.392 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 74.5 m -99.3 121.49 41.16 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-O 122.133 0.968 . . . . 0.0 109.328 173.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.4 tp -106.77 111.56 24.13 Favored 'General case' 0 C--N 1.259 -3.339 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.747 -176.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 80.6 m -94.42 118.66 31.97 Favored 'General case' 0 N--CA 1.422 -1.832 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.09 174.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -116.27 105.46 12.58 Favored 'General case' 0 N--CA 1.42 -1.956 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.682 -176.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 61.65 27.82 17.14 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 121.705 0.764 . . . . 0.0 112.423 178.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.16 -21.18 40.63 Favored Glycine 0 C--N 1.287 -2.19 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.133 178.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -89.78 119.63 30.34 Favored 'General case' 0 CA--C 1.495 -1.148 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 58.9 m -96.31 129.46 43.64 Favored 'General case' 0 N--CA 1.419 -2.008 0 CA-C-O 122.351 1.072 . . . . 0.0 112.617 -176.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -117.18 118.48 32.43 Favored 'General case' 0 C--N 1.271 -2.829 0 CA-C-N 113.282 -1.781 . . . . 0.0 108.003 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 90.8 m -99.39 123.91 44.06 Favored 'General case' 0 C--N 1.277 -2.582 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.159 175.239 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.6 tt -137.45 145.19 29.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.154 -176.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 82.1 m -112.82 143.67 43.67 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 C--N 1.3 -1.573 0 CA-C-O 120.9 0.381 . . . . 0.0 109.982 177.174 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.7 t70 . . . . . 0 CA--C 1.5 -0.962 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 69.8 m -101.41 133.54 45.88 Favored 'General case' 0 C--N 1.288 -2.087 0 CA-C-O 121.44 0.638 . . . . 0.0 111.246 -178.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -116.19 151.39 35.81 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 84.8 m -117.32 136.74 52.91 Favored 'General case' 0 C--N 1.286 -2.183 0 C-N-CA 119.273 -0.971 . . . . 0.0 111.558 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.7 tp -123.81 145.93 48.71 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.314 -174.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 70.8 m -132.16 125.78 32.03 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 177.167 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -136.44 122.77 20.6 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 120.92 0.391 . . . . 0.0 110.872 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 64.5 19.74 11.91 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.591 1.157 . . . . 0.0 112.3 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.28 -15.59 56.14 Favored Glycine 0 N--CA 1.436 -1.323 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -86.75 109.95 19.58 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 120.764 0.316 . . . . 0.0 110.384 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 79.6 m -95.05 132.86 39.48 Favored 'General case' 0 CA--C 1.479 -1.764 0 CA-C-O 121.938 0.875 . . . . 0.0 110.776 177.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -144.98 138.02 26.51 Favored 'General case' 0 C--N 1.269 -2.904 0 CA-C-N 114.128 -1.396 . . . . 0.0 109.606 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 64.2 m -98.81 142.89 29.77 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.628 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.8 tt -124.82 135.46 63.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 34.4 m -108.92 138.28 45.51 Favored 'General case' 0 C--N 1.291 -1.949 0 C-N-CA 119.785 -0.766 . . . . 0.0 111.136 -178.062 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 m . . . . . 0 C--N 1.315 -0.926 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.793 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 CA--C 1.495 -1.145 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 88.3 m -101.54 117.79 35.64 Favored 'General case' 0 CA--C 1.478 -1.813 0 C-N-CA 119.233 -0.987 . . . . 0.0 110.895 176.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -114.97 104.11 11.58 Favored 'General case' 0 C--N 1.26 -3.303 0 CA-C-N 113.574 -1.648 . . . . 0.0 106.885 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 57.4 m -93.03 134.11 35.5 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.344 0.593 . . . . 0.0 112.574 -175.053 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.9 mt -125.16 140.17 53.11 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.429 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 57.1 m -117.08 145.72 43.57 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.774 -0.77 . . . . 0.0 111.651 -176.407 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -134.36 109.13 8.59 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 61.93 22.2 12.87 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.707 0.803 . . . . 0.0 112.961 175.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.69 -26.27 13.23 Favored Glycine 0 C--N 1.287 -2.181 0 C-N-CA 120.222 -0.99 . . . . 0.0 112.756 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -90.48 132.02 35.9 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 119.786 -0.766 . . . . 0.0 108.953 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.3 m -108.43 136.27 48.33 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.85 0.833 . . . . 0.0 112.621 -176.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -117.55 136.42 53.28 Favored 'General case' 0 C--N 1.286 -2.169 0 CA-C-N 114.111 -1.404 . . . . 0.0 107.437 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 93.1 m -105.41 130.92 53.4 Favored 'General case' 0 C--N 1.275 -2.668 0 C-N-CA 119.232 -0.987 . . . . 0.0 111.16 178.019 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.6 mm -101.15 94.76 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.194 0 N-CA-C 105.246 -2.131 . . . . 0.0 105.246 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.6 m -96.95 113.54 25.09 Favored 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.038 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.401 -2.89 0 CA-C-O 121.923 0.868 . . . . 0.0 112.273 -176.199 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 CA--C 1.492 -1.285 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 38.3 m -94.32 117.48 30.18 Favored 'General case' 0 N--CA 1.423 -1.808 0 CA-C-O 122.46 1.124 . . . . 0.0 111.626 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -108.71 137.56 46.44 Favored 'General case' 0 C--N 1.28 -2.424 0 CA-C-N 113.348 -1.751 . . . . 0.0 109.063 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 65.4 m -103.31 140.1 37.86 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 119.764 -0.774 . . . . 0.0 112.866 -174.108 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.5 mt -123.5 159.49 28.97 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 -178.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 59.1 m -131.64 135.14 46.69 Favored 'General case' 0 C--N 1.291 -1.959 0 C-N-CA 119.327 -0.949 . . . . 0.0 110.34 177.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -136.23 123.22 21.47 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 176.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 67.01 19.79 10.51 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.594 0.758 . . . . 0.0 110.993 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.65 -5.89 84.18 Favored Glycine 0 C--N 1.307 -1.081 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -95.56 111.31 23.25 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 60.8 m -91.34 130.33 37.21 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 121.814 0.816 . . . . 0.0 112.231 -177.412 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -131.69 147.23 52.49 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-N 113.92 -1.491 . . . . 0.0 108.254 -176.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 35.8 m -113.48 142.35 46.02 Favored 'General case' 0 C--N 1.293 -1.887 0 C-N-CA 118.811 -1.155 . . . . 0.0 111.867 -174.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.0 tt -118.06 131.35 71.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.047 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 61.3 m -98.46 134.71 41.07 Favored 'General case' 0 C--N 1.286 -2.158 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.851 -178.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.3 m . . . . . 0 N--CA 1.433 -1.31 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 178.233 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 CA--C 1.49 -1.338 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 80.8 m -91.87 121.32 33.37 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 122.165 0.983 . . . . 0.0 110.297 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -122.34 130.15 52.85 Favored 'General case' 0 C--N 1.267 -3.008 0 CA-C-N 113.978 -1.465 . . . . 0.0 109.378 -174.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 86.3 m -99.58 135.06 41.56 Favored 'General case' 0 C--N 1.29 -2.017 0 C-N-CA 119.424 -0.911 . . . . 0.0 110.236 177.165 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.2 tp -130.3 136.54 49.25 Favored 'General case' 0 C--N 1.285 -2.202 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.461 -177.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 63.4 m -103.78 126.54 50.98 Favored 'General case' 0 C--N 1.286 -2.179 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.994 178.172 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -144.5 136.4 25.98 Favored 'General case' 0 N--CA 1.432 -1.329 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -176.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 65.24 18.48 11.41 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.264 1.025 . . . . 0.0 110.399 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.68 -14.81 64.04 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.551 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -103.21 145.53 29.8 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -176.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 56.4 m -104.68 127.38 52.42 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 118.602 -1.239 . . . . 0.0 111.989 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -113.65 143.01 45.29 Favored 'General case' 0 C--N 1.279 -2.482 0 CA-C-N 113.818 -1.537 . . . . 0.0 108.389 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 84.1 m -113.71 124.42 52.25 Favored 'General case' 0 C--N 1.282 -2.33 0 C-N-CA 119.48 -0.888 . . . . 0.0 109.851 175.22 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.2 tt -117.05 128.05 74.52 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.94 -177.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 86.4 m -99.31 120.99 40.46 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 120.461 -0.495 . . . . 0.0 109.736 177.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 C--N 1.303 -1.413 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -177.535 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.4 t70 . . . . . 0 CA--C 1.492 -1.278 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 61.2 m -97.94 126.33 43.29 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-O 121.783 0.802 . . . . 0.0 111.075 -178.206 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -110.53 128.5 55.67 Favored 'General case' 0 C--N 1.28 -2.429 0 CA-C-N 114.154 -1.385 . . . . 0.0 107.302 -177.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 70.1 m -101.88 128.87 48.07 Favored 'General case' 0 C--N 1.283 -2.287 0 C-N-CA 119.3 -0.96 . . . . 0.0 112.062 -178.312 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.6 tp -110.42 116.86 32.17 Favored 'General case' 0 C--N 1.273 -2.728 0 CA-C-N 113.91 -1.495 . . . . 0.0 108.186 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.4 m -114.79 123.14 48.45 Favored 'General case' 0 C--N 1.282 -2.344 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.28 178.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -130.78 113.19 13.8 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 120.922 0.391 . . . . 0.0 110.887 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 60.85 24.94 14.88 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.182 1.393 . . . . 0.0 112.534 174.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.38 -26.02 9.4 Favored Glycine 0 N--CA 1.423 -2.197 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.363 178.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -85.04 107.25 17.06 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.787 0.293 . . . . 0.0 111.009 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 92.9 m -94.61 127.1 40.33 Favored 'General case' 0 CA--C 1.473 -2.018 0 CA-C-O 121.99 0.9 . . . . 0.0 110.754 175.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -128.81 119.95 25.43 Favored 'General case' 0 C--N 1.261 -3.267 0 CA-C-N 113.62 -1.627 . . . . 0.0 109.157 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.3 m -100.4 116.14 31.67 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 121.516 0.674 . . . . 0.0 110.87 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.2 mt -107.64 139.86 28.04 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 -178.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 42.7 m -110.19 137.45 47.91 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.808 -176.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.1 m . . . . . 0 C--N 1.306 -1.296 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.02 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 . . . . . 0 CA--C 1.486 -1.505 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 86.2 m -102.14 122.73 44.71 Favored 'General case' 0 C--N 1.285 -2.228 0 C-N-CA 119.596 -0.842 . . . . 0.0 109.681 175.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -113.22 124.26 52.11 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-N 113.97 -1.468 . . . . 0.0 108.48 -174.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.4 m -104.19 130.31 51.95 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 119.636 -0.826 . . . . 0.0 112.427 -177.393 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -119.66 133.31 55.69 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.011 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 75.0 m -107.21 128.2 54.2 Favored 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 119.773 -0.771 . . . . 0.0 109.46 176.176 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.7 mtm-85 -125.29 105.1 8.86 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.739 -178.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 55.32 28.95 12.09 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 174.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.32 -28.73 6.18 Favored Glycine 0 C--N 1.281 -2.481 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.122 177.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -96.4 124.85 40.53 Favored 'General case' 0 N--CA 1.421 -1.916 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.079 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 85.6 m -102.24 127.4 49.21 Favored 'General case' 0 CA--C 1.472 -2.04 0 CA-C-O 121.775 0.798 . . . . 0.0 109.919 177.362 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -132.87 146.78 52.11 Favored 'General case' 0 C--N 1.266 -3.032 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.721 -176.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 63.5 m -115.58 132.52 56.6 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-O 121.292 0.568 . . . . 0.0 111.336 -178.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tp -112.52 132.98 59.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 177.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.2 m -104.7 134.61 47.57 Favored 'General case' 0 C--N 1.288 -2.084 0 C-N-CA 120.004 -0.679 . . . . 0.0 110.202 179.045 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.426 -1.651 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -179.476 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 . . . . . 0 CA--C 1.483 -1.629 0 CA-C-O 121.014 0.435 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 56.6 m -87.65 129.55 35.09 Favored 'General case' 0 N--CA 1.417 -2.095 0 CA-C-O 121.852 0.834 . . . . 0.0 110.931 -178.166 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -130.62 139.73 50.4 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-N 114.132 -1.394 . . . . 0.0 108.862 -174.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 39.6 m -103.55 126.47 50.72 Favored 'General case' 0 C--N 1.291 -1.97 0 CA-C-O 122.029 0.919 . . . . 0.0 113.047 -173.372 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -123.46 139.1 54.37 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 114.001 -1.454 . . . . 0.0 108.772 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.2 m -122.87 139.18 54.3 Favored 'General case' 0 C--N 1.293 -1.891 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.927 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -131.86 129.6 40.6 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 176.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 65.76 12.16 8.11 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.578 0.751 . . . . 0.0 112.454 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.78 -13.67 62.22 Favored Glycine 0 C--N 1.313 -0.7 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -175.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -87.16 114.8 24.08 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 123.239 0.616 . . . . 0.0 109.648 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.7 m -96.07 143.6 27.07 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -177.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -140.64 132.12 26.93 Favored 'General case' 0 C--N 1.287 -2.129 0 CA-C-N 114.071 -1.422 . . . . 0.0 109.267 176.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.7 m -98.62 110.44 23.03 Favored 'General case' 0 C--N 1.289 -2.065 0 C-N-CA 119.386 -0.926 . . . . 0.0 109.626 175.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.9 tp -102.43 137.13 31.54 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 36.1 m -97.8 134.03 41.51 Favored 'General case' 0 N--CA 1.41 -2.449 0 C-N-CA 120.016 -0.674 . . . . 0.0 110.145 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.428 -1.562 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -178.945 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.5 t70 . . . . . 0 C--O 1.247 0.935 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 85.6 m -108.25 148.51 29.88 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -175.354 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -137.48 132.59 33.53 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 177.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 72.1 m -95.36 141.85 28.44 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.547 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 pp -150.67 162.02 41.49 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.089 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 76.9 m -126.32 136.79 53.18 Favored 'General case' 0 C--N 1.283 -2.294 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 176.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -147.06 135.54 21.87 Favored 'General case' 0 N--CA 1.421 -1.876 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 65.78 14.26 9.44 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.442 1.097 . . . . 0.0 113.269 177.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.98 3.93 57.87 Favored Glycine 0 C--N 1.303 -1.284 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -122.28 137.56 54.8 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 78.2 m -105.38 143.44 33.55 Favored 'General case' 0 CA--C 1.49 -1.343 0 CA-C-O 121.239 0.542 . . . . 0.0 111.732 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -155.5 152.08 28.46 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.264 177.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 79.2 m -108.06 118.26 36.3 Favored 'General case' 0 C--N 1.289 -2.04 0 C-N-CA 119.786 -0.765 . . . . 0.0 109.401 177.31 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.4 tt -103.48 144.43 14.03 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -175.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 56.1 m -117.1 154.71 30.53 Favored 'General case' 0 C--N 1.284 -2.258 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.175 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 C--N 1.302 -1.458 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.845 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 CA--C 1.503 -0.853 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 56.3 m -93.82 117.25 29.85 Favored 'General case' 0 N--CA 1.428 -1.543 0 C-N-CA 118.649 -1.22 . . . . 0.0 110.428 178.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -108.61 145.69 34.52 Favored 'General case' 0 C--N 1.273 -2.734 0 CA-C-N 113.265 -1.789 . . . . 0.0 108.308 -171.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.464 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 63.1 m -109.12 128.34 54.92 Favored 'General case' 0 N--CA 1.411 -2.399 0 C-N-CA 118.42 -1.312 . . . . 0.0 111.604 178.464 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.3 tp -112.02 117.13 31.83 Favored 'General case' 0 C--N 1.282 -2.354 0 CA-C-N 114.0 -1.454 . . . . 0.0 108.076 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 34.1 m -107.64 131.06 54.79 Favored 'General case' 0 C--N 1.288 -2.09 0 C-N-CA 119.472 -0.891 . . . . 0.0 108.761 178.372 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -142.84 134.4 26.46 Favored 'General case' 0 N--CA 1.419 -1.977 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 72.48 -4.5 2.04 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.931 1.292 . . . . 0.0 111.72 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.89 -14.95 19.3 Favored Glycine 0 N--CA 1.43 -1.72 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -175.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -96.05 124.86 40.23 Favored 'General case' 0 C--O 1.246 0.919 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -177.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 79.5 m -94.39 131.6 39.89 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-O 121.911 0.863 . . . . 0.0 112.176 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -126.26 121.91 34.02 Favored 'General case' 0 C--N 1.274 -2.692 0 CA-C-N 113.945 -1.479 . . . . 0.0 108.327 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.464 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.5 m -96.29 126.14 41.29 Favored 'General case' 0 C--N 1.293 -1.875 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.224 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.8 mm -116.35 141.8 32.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 -176.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 78.5 m -96.95 115.69 27.87 Favored 'General case' 0 C--N 1.294 -1.831 0 C-N-CA 119.276 -0.97 . . . . 0.0 108.988 176.249 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 m . . . . . 0 N--CA 1.421 -1.889 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.744 -171.652 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.2 t70 . . . . . 0 CA--C 1.509 -0.601 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 83.0 m -100.24 132.72 45.45 Favored 'General case' 0 C--N 1.289 -2.028 0 C-N-CA 119.407 -0.917 . . . . 0.0 111.92 -178.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -123.31 115.24 21.36 Favored 'General case' 0 C--N 1.28 -2.447 0 CA-C-N 114.682 -1.144 . . . . 0.0 108.662 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.0 m -93.26 131.95 37.91 Favored 'General case' 0 C--N 1.284 -2.268 0 CA-C-O 121.577 0.703 . . . . 0.0 110.484 179.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.8 tp -124.53 134.15 53.09 Favored 'General case' 0 C--N 1.277 -2.576 0 CA-C-N 114.618 -1.173 . . . . 0.0 108.719 -177.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.5 m -108.37 135.81 49.04 Favored 'General case' 0 C--N 1.296 -1.734 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.251 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -141.87 125.04 16.35 Favored 'General case' 0 N--CA 1.428 -1.556 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.537 -175.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 65.55 18.54 11.29 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.636 1.175 . . . . 0.0 111.735 177.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.29 -3.06 66.06 Favored Glycine 0 C--N 1.308 -1.015 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.468 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -108.7 137.47 46.58 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 82.8 m -104.48 136.0 44.86 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 119.224 -0.99 . . . . 0.0 112.264 -178.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -122.99 121.77 36.91 Favored 'General case' 0 C--N 1.285 -2.233 0 CA-C-N 114.106 -1.406 . . . . 0.0 109.584 -177.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 88.1 m -94.96 125.57 39.72 Favored 'General case' 0 C--N 1.284 -2.268 0 C-N-CA 119.601 -0.839 . . . . 0.0 111.101 176.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.3 mt -115.23 123.7 71.09 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.065 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 63.8 m -107.51 123.85 49.04 Favored 'General case' 0 C--N 1.288 -2.089 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.418 178.252 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 N--CA 1.419 -2.004 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.931 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.701 0 N-CA-C 111.849 -0.5 . . . . 0.0 111.849 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -94.03 109.41 21.16 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 70.2 m -95.52 130.0 42.51 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-O 121.67 0.748 . . . . 0.0 112.419 -175.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -132.34 137.6 47.46 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 114.508 -1.223 . . . . 0.0 108.977 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.2 m -100.47 128.88 46.41 Favored 'General case' 0 C--N 1.297 -1.685 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.937 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 75.1 mt -135.1 159.81 40.33 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 114.975 -1.011 . . . . 0.0 108.626 -175.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 64.8 m -116.25 126.56 53.76 Favored 'General case' 0 C--N 1.293 -1.85 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.389 176.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -113.64 101.56 9.44 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.294 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 63.47 21.11 12.61 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.759 1.224 . . . . 0.0 112.512 174.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.5 -21.63 10.56 Favored Glycine 0 C--N 1.298 -1.562 0 N-CA-C 111.812 -0.515 . . . . 0.0 111.812 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -90.34 107.51 19.19 Favored 'General case' 0 CA--C 1.494 -1.211 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 69.0 m -85.28 124.58 32.07 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-O 121.885 0.85 . . . . 0.0 109.765 176.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -142.66 150.02 39.66 Favored 'General case' 0 C--N 1.27 -2.856 0 CA-C-N 113.96 -1.473 . . . . 0.0 108.79 -172.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 66.9 m -105.45 118.1 35.7 Favored 'General case' 0 C--N 1.287 -2.125 0 C-N-CA 119.435 -0.906 . . . . 0.0 110.022 178.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.3 tp -102.68 136.64 34.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 62.8 m -112.4 126.32 55.16 Favored 'General case' 0 C--N 1.285 -2.202 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.406 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 m -120.0 119.04 32.26 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 . . . . . 0 C--N 1.317 -0.809 0 C-N-CA 124.451 1.1 . . . . 0.0 112.156 -179.245 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.926 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -92.26 111.81 23.51 Favored 'General case' 0 CA--C 1.484 -1.584 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 81.9 m -94.85 134.36 37.56 Favored 'General case' 0 N--CA 1.406 -2.673 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.901 178.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -134.11 130.79 37.89 Favored 'General case' 0 C--N 1.277 -2.581 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.964 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.8 m -103.9 128.91 51.38 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-O 121.402 0.62 . . . . 0.0 110.845 -179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.483 HD23 ' H ' ' A' ' 6' ' ' LEU . 2.4 pt? -120.94 145.74 47.39 Favored 'General case' 0 C--N 1.279 -2.464 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.547 -177.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 75.6 m -110.56 128.16 55.53 Favored 'General case' 0 C--N 1.282 -2.363 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -140.65 124.46 17.17 Favored 'General case' 0 N--CA 1.424 -1.756 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -175.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 64.92 20.84 12.22 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.268 0.627 . . . . 0.0 112.662 176.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.64 -8.43 74.25 Favored Glycine 0 C--N 1.303 -1.283 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.532 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -100.5 119.08 37.96 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 84.9 m -94.96 130.17 41.7 Favored 'General case' 0 CA--C 1.467 -2.226 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.212 176.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.5 ttm-85 -141.95 151.26 42.4 Favored 'General case' 0 C--N 1.268 -2.936 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.863 -174.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.7 m -113.36 141.68 46.77 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 119.503 -0.879 . . . . 0.0 111.783 -176.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.5 tt -126.87 143.17 41.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 78.9 m -116.99 135.88 53.36 Favored 'General case' 0 C--N 1.29 -1.989 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.912 178.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m -141.01 121.91 14.48 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 . . . . . 0 C--N 1.315 -0.916 0 C-N-CA 125.557 1.543 . . . . 0.0 112.281 -179.099 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.04 0 N-CA-C 112.016 -0.434 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -91.2 112.86 24.95 Favored 'General case' 0 CA--C 1.491 -1.323 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.6 m -99.3 134.99 41.36 Favored 'General case' 0 C--N 1.287 -2.14 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.58 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -135.41 138.4 43.23 Favored 'General case' 0 C--N 1.288 -2.106 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.273 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.9 m -110.01 138.14 46.79 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 119.828 -0.749 . . . . 0.0 111.297 -179.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.5 tp -134.08 144.68 48.76 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.526 -177.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 34.2 m -109.47 129.4 55.56 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -134.35 126.1 28.94 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.533 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 67.98 6.71 5.33 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.063 1.345 . . . . 0.0 112.052 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.07 -2.84 33.4 Favored Glycine 0 N--CA 1.437 -1.273 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.848 -176.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -104.78 123.54 47.83 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.9 m -93.72 122.32 36.06 Favored 'General case' 0 CA--C 1.471 -2.059 0 CA-C-O 122.034 0.921 . . . . 0.0 109.548 176.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -133.04 139.91 47.44 Favored 'General case' 0 C--N 1.263 -3.184 0 CA-C-N 113.835 -1.53 . . . . 0.0 108.367 -173.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 65.9 m -104.57 143.52 32.94 Favored 'General case' 0 C--N 1.292 -1.934 0 C-N-CA 119.523 -0.871 . . . . 0.0 112.025 -177.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.4 tp -124.12 134.56 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.6 m -115.93 137.62 51.93 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 120.552 -0.459 . . . . 0.0 109.981 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.4 m -127.61 110.95 13.2 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.7 mtm-85 . . . . . 0 N--CA 1.477 0.878 0 C-N-CA 127.434 2.294 . . . . 0.0 109.752 -178.534 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.83 0 N-CA-C 112.215 -0.354 . . . . 0.0 112.215 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -122.09 109.77 14.96 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 72.8 m -90.3 121.89 32.71 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 122.42 1.105 . . . . 0.0 111.135 177.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -113.23 121.31 44.07 Favored 'General case' 0 C--N 1.268 -2.953 0 CA-C-N 113.198 -1.819 . . . . 0.0 107.621 -176.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.4 m -100.68 136.58 40.32 Favored 'General case' 0 C--N 1.28 -2.425 0 C-N-CA 119.019 -1.072 . . . . 0.0 111.78 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.5 tp -117.22 106.56 13.43 Favored 'General case' 0 C--N 1.28 -2.427 0 CA-C-N 114.263 -1.335 . . . . 0.0 107.749 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 79.8 m -103.0 118.57 37.11 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -143.32 142.45 31.32 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -177.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 63.07 23.22 13.86 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.778 1.231 . . . . 0.0 111.002 178.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.26 22.81 72.63 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.856 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -134.18 123.95 25.21 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 78.7 m -95.52 131.19 41.96 Favored 'General case' 0 CA--C 1.481 -1.678 0 CA-C-O 121.89 0.852 . . . . 0.0 113.001 -178.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 19.2 mmt180 -127.47 128.38 45.63 Favored 'General case' 0 C--N 1.28 -2.45 0 CA-C-N 113.954 -1.476 . . . . 0.0 108.675 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.1 m -110.12 129.7 55.66 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-O 121.513 0.673 . . . . 0.0 112.132 -176.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.6 mm -105.25 126.99 60.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.2 m -111.51 115.02 28.51 Favored 'General case' 0 C--N 1.284 -2.244 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.479 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.4 m -107.2 101.3 10.71 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.03 -177.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.483 0 C-N-CA 127.954 2.502 . . . . 0.0 113.113 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.643 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -126.36 130.11 50.12 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 68.8 m -97.11 125.25 41.46 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 118.803 -1.159 . . . . 0.0 111.759 -178.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -115.62 121.98 44.22 Favored 'General case' 0 C--N 1.287 -2.113 0 CA-C-N 114.033 -1.439 . . . . 0.0 108.931 -177.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 64.3 m -93.71 133.83 36.67 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.517 0.675 . . . . 0.0 112.078 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.3 tp -131.32 145.99 52.1 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-N 114.629 -1.168 . . . . 0.0 108.889 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 60.3 m -117.24 135.72 53.6 Favored 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 119.509 -0.877 . . . . 0.0 109.457 177.211 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -132.25 118.2 19.19 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 66.91 13.61 9.51 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.702 0.801 . . . . 0.0 111.896 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.37 -15.91 57.17 Favored Glycine 0 C--N 1.306 -1.13 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -176.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -82.84 105.82 14.16 Favored 'General case' 0 C--O 1.255 1.346 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 63.7 m -87.43 134.67 33.56 Favored 'General case' 0 CA--C 1.481 -1.7 0 CA-C-O 121.697 0.761 . . . . 0.0 111.18 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -143.22 148.09 35.88 Favored 'General case' 0 C--N 1.282 -2.344 0 CA-C-N 114.488 -1.233 . . . . 0.0 108.975 -178.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.0 m -110.4 125.52 53.32 Favored 'General case' 0 N--CA 1.417 -2.075 0 CA-C-O 121.828 0.823 . . . . 0.0 111.684 -178.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.0 mt -102.32 116.4 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.962 0 CA-C-N 114.525 -1.216 . . . . 0.0 107.826 -177.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.5 m -97.69 121.39 39.54 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 120.515 -0.474 . . . . 0.0 109.759 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.4 m -149.16 147.19 28.15 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 . . . . . 0 N--CA 1.479 1.019 0 C-N-CA 124.991 1.316 . . . . 0.0 110.396 -179.671 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.138 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -106.19 139.91 39.96 Favored 'General case' 0 CA--C 1.485 -1.521 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 71.0 m -105.05 139.01 40.36 Favored 'General case' 0 C--N 1.278 -2.504 0 C-N-CA 118.49 -1.284 . . . . 0.0 110.992 175.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -112.81 102.23 10.26 Favored 'General case' 0 C--N 1.285 -2.228 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 176.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 77.9 m -95.27 123.98 39.07 Favored 'General case' 0 C--N 1.29 -2.017 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.188 178.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.0 mt -133.13 151.6 51.98 Favored 'General case' 0 C--N 1.277 -2.562 0 CA-C-N 114.23 -1.35 . . . . 0.0 109.778 -176.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 78.8 m -113.99 123.37 49.55 Favored 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -124.15 111.93 16.49 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.449 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 62.44 28.71 16.95 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 173.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.03 3.64 63.63 Favored Glycine 0 C--N 1.292 -1.88 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.851 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -112.29 106.82 15.47 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 75.0 m -82.37 130.89 35.2 Favored 'General case' 0 CA--C 1.482 -1.653 0 CA-C-O 122.131 0.967 . . . . 0.0 110.3 176.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -136.83 134.7 37.24 Favored 'General case' 0 C--N 1.266 -3.053 0 CA-C-N 113.558 -1.655 . . . . 0.0 110.428 -169.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 92.2 m -109.74 118.22 35.96 Favored 'General case' 0 C--N 1.281 -2.41 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.656 174.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.1 mt -102.78 116.26 46.19 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.99 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.9 m -106.68 132.64 52.43 Favored 'General case' 0 C--N 1.293 -1.853 0 C-N-CA 119.645 -0.822 . . . . 0.0 110.883 -176.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 m -148.36 138.17 22.31 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 . . . . . 0 N--CA 1.496 1.829 0 C-N-CA 126.054 1.741 . . . . 0.0 112.076 -179.821 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.618 0 N-CA-C 111.923 -0.471 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -103.62 135.12 45.79 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 60.3 m -105.06 130.65 53.21 Favored 'General case' 0 N--CA 1.413 -2.282 0 CA-C-O 121.955 0.883 . . . . 0.0 112.011 -177.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -121.13 128.95 53.03 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-N 114.185 -1.371 . . . . 0.0 108.115 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 27.7 m -95.54 122.65 38.5 Favored 'General case' 0 N--CA 1.414 -2.227 0 CA-C-O 122.281 1.038 . . . . 0.0 111.35 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.441 HD12 HD12 ' A' ' 15' ' ' ILE . 95.6 mt -116.12 140.35 49.38 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 113.169 -1.832 . . . . 0.0 108.803 -177.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 56.3 m -103.11 137.03 41.82 Favored 'General case' 0 C--N 1.291 -1.978 0 C-N-CA 119.537 -0.865 . . . . 0.0 112.423 -177.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -126.61 104.13 7.94 Favored 'General case' 0 N--CA 1.432 -1.375 0 CA-C-N 114.221 -1.354 . . . . 0.0 108.661 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.427 ' HE ' ' HB2' ' A' ' 9' ' ' ARG . 38.0 mtm180 67.06 17.48 10.45 Favored 'General case' 0 N--CA 1.498 1.962 0 C-N-CA 124.21 1.004 . . . . 0.0 110.501 179.004 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.08 -12.53 62.16 Favored Glycine 0 N--CA 1.437 -1.293 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -176.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -85.81 111.61 20.33 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 57.5 m -91.24 129.53 37.22 Favored 'General case' 0 C--N 1.281 -2.373 0 C-N-CA 118.537 -1.265 . . . . 0.0 111.414 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -123.6 132.27 53.83 Favored 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 114.069 -1.423 . . . . 0.0 109.645 -175.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.3 m -94.5 110.89 22.65 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-O 122.07 0.938 . . . . 0.0 111.028 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.441 HD12 HD12 ' A' ' 6' ' ' LEU . 58.8 mt -102.07 124.92 56.26 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.445 -176.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 52.2 m -103.06 132.93 48.96 Favored 'General case' 0 C--N 1.286 -2.172 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.32 -176.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 m -136.89 126.09 24.67 Favored 'General case' 0 N--CA 1.426 -1.661 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 . . . . . 0 N--CA 1.477 0.883 0 C-N-CA 124.569 1.148 . . . . 0.0 112.822 179.062 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.889 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -119.12 128.84 54.66 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 67.6 m -91.94 136.6 33.04 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.725 0.774 . . . . 0.0 112.615 -174.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -131.93 137.45 47.96 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 114.391 -1.277 . . . . 0.0 108.089 -173.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 63.2 m -108.1 128.92 55.11 Favored 'General case' 0 C--N 1.286 -2.168 0 C-N-CA 118.892 -1.123 . . . . 0.0 111.353 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.9 mp -112.29 141.03 46.5 Favored 'General case' 0 C--N 1.286 -2.152 0 CA-C-N 114.485 -1.234 . . . . 0.0 107.812 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 80.9 m -115.09 132.16 56.69 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.205 -0.998 . . . . 0.0 111.426 -177.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 8' ' ' ARG . 29.4 mmt180 -128.74 115.67 18.33 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.023 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 65.04 19.71 11.9 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.828 0.851 . . . . 0.0 111.798 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.6 -9.06 68.94 Favored Glycine 0 C--N 1.308 -1.019 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.186 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -98.76 128.09 44.89 Favored 'General case' 0 CA--C 1.493 -1.24 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 176.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 58.3 m -103.01 139.29 38.77 Favored 'General case' 0 C--N 1.283 -2.283 0 C-N-CA 118.851 -1.14 . . . . 0.0 112.238 -175.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -123.2 131.15 53.57 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 114.608 -1.178 . . . . 0.0 108.296 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.1 m -105.13 120.93 42.74 Favored 'General case' 0 C--N 1.287 -2.139 0 C-N-CA 119.963 -0.695 . . . . 0.0 110.828 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.2 pt -108.78 167.44 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.277 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 59.3 m -128.87 125.74 38.29 Favored 'General case' 0 C--N 1.282 -2.343 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.649 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 m -123.33 127.12 48.07 Favored 'General case' 0 N--CA 1.426 -1.671 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 . . . . . 0 N--CA 1.478 0.967 0 C-N-CA 124.579 1.152 . . . . 0.0 112.888 178.845 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.667 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -119.05 139.8 51.12 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -176.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 38.9 m -94.94 134.1 37.97 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -173.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 70.9 mtm180 -138.36 172.58 12.68 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -175.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 29.5 m -113.2 129.84 56.4 Favored 'General case' 0 N--CA 1.415 -2.192 0 C-N-CA 118.66 -1.216 . . . . 0.0 112.093 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.4 mt -120.67 162.08 20.3 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 114.465 -1.243 . . . . 0.0 107.962 -174.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 41.2 m -115.82 134.4 55.05 Favored 'General case' 0 C--N 1.284 -2.267 0 C-N-CA 119.209 -0.996 . . . . 0.0 110.493 178.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -114.91 100.71 8.41 Favored 'General case' 0 N--CA 1.422 -1.855 0 CA-C-N 115.041 -0.981 . . . . 0.0 108.446 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 61.55 16.55 7.73 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.416 1.086 . . . . 0.0 112.985 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.15 -24.66 7.72 Favored Glycine 0 C--N 1.311 -0.823 0 C-N-CA 121.236 -0.506 . . . . 0.0 112.497 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -86.6 113.74 22.75 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 177.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 56.9 m -90.06 127.49 36.08 Favored 'General case' 0 C--N 1.294 -1.828 0 C-N-CA 119.692 -0.803 . . . . 0.0 110.856 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 -147.85 147.81 30.2 Favored 'General case' 0 C--N 1.284 -2.279 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.118 -172.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 23.4 m -90.64 129.8 36.72 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -172.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.6 mm -132.92 150.18 32.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 -174.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 34.3 m -97.14 141.14 30.63 Favored 'General case' 0 C--N 1.294 -1.832 0 C-N-CA 119.322 -0.951 . . . . 0.0 111.801 -177.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 m -137.13 128.65 28.45 Favored 'General case' 0 N--CA 1.431 -1.377 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -176.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 . . . . . 0 C--N 1.318 -0.788 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 177.092 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.066 0 CA-C-O 120.474 -0.07 . . . . 0.0 113.18 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -116.6 124.97 51.12 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 84.1 m -104.74 135.18 46.6 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.174 0.511 . . . . 0.0 111.03 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.9 mtm-85 -139.32 134.47 32.58 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.392 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 74.5 m -99.3 121.49 41.16 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-O 122.133 0.968 . . . . 0.0 109.328 173.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.4 tp -106.77 111.56 24.13 Favored 'General case' 0 C--N 1.259 -3.339 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.747 -176.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 80.6 m -94.42 118.66 31.97 Favored 'General case' 0 N--CA 1.422 -1.832 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.09 174.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -116.27 105.46 12.58 Favored 'General case' 0 N--CA 1.42 -1.956 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.682 -176.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 61.65 27.82 17.14 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 121.705 0.764 . . . . 0.0 112.423 178.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.16 -21.18 40.63 Favored Glycine 0 C--N 1.287 -2.19 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.133 178.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -89.78 119.63 30.34 Favored 'General case' 0 CA--C 1.495 -1.148 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 58.9 m -96.31 129.46 43.64 Favored 'General case' 0 N--CA 1.419 -2.008 0 CA-C-O 122.351 1.072 . . . . 0.0 112.617 -176.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -117.18 118.48 32.43 Favored 'General case' 0 C--N 1.271 -2.829 0 CA-C-N 113.282 -1.781 . . . . 0.0 108.003 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 90.8 m -99.39 123.91 44.06 Favored 'General case' 0 C--N 1.277 -2.582 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.159 175.239 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.6 tt -137.45 145.19 29.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.154 -176.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 82.1 m -112.82 143.67 43.67 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.2 m -148.94 124.27 10.24 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 120.9 0.381 . . . . 0.0 109.982 177.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--N 1.312 -1.051 0 C-N-CA 125.592 1.557 . . . . 0.0 114.003 174.48 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.197 0 N-CA-C 111.887 -0.485 . . . . 0.0 111.887 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -108.35 138.78 44.06 Favored 'General case' 0 CA--C 1.5 -0.962 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -177.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 69.8 m -101.41 133.54 45.88 Favored 'General case' 0 C--N 1.288 -2.087 0 CA-C-O 121.44 0.638 . . . . 0.0 111.246 -178.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -116.19 151.39 35.81 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 84.8 m -117.32 136.74 52.91 Favored 'General case' 0 C--N 1.286 -2.183 0 C-N-CA 119.273 -0.971 . . . . 0.0 111.558 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.7 tp -123.81 145.93 48.71 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.314 -174.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 70.8 m -132.16 125.78 32.03 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 177.167 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -136.44 122.77 20.6 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 120.92 0.391 . . . . 0.0 110.872 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 64.5 19.74 11.91 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.591 1.157 . . . . 0.0 112.3 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.28 -15.59 56.14 Favored Glycine 0 N--CA 1.436 -1.323 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -86.75 109.95 19.58 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 120.764 0.316 . . . . 0.0 110.384 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 79.6 m -95.05 132.86 39.48 Favored 'General case' 0 CA--C 1.479 -1.764 0 CA-C-O 121.938 0.875 . . . . 0.0 110.776 177.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -144.98 138.02 26.51 Favored 'General case' 0 C--N 1.269 -2.904 0 CA-C-N 114.128 -1.396 . . . . 0.0 109.606 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 64.2 m -98.81 142.89 29.77 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.628 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.8 tt -124.82 135.46 63.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 34.4 m -108.92 138.28 45.51 Favored 'General case' 0 C--N 1.291 -1.949 0 C-N-CA 119.785 -0.766 . . . . 0.0 111.136 -178.062 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 m -149.03 136.47 20.23 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 . . . . . 0 N--CA 1.476 0.871 0 C-N-CA 125.204 1.402 . . . . 0.0 112.249 -179.522 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.025 0 CA-C-O 120.416 -0.102 . . . . 0.0 113.03 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -102.54 123.47 46.34 Favored 'General case' 0 CA--C 1.495 -1.145 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 88.3 m -101.54 117.79 35.64 Favored 'General case' 0 CA--C 1.478 -1.813 0 C-N-CA 119.233 -0.987 . . . . 0.0 110.895 176.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -114.97 104.11 11.58 Favored 'General case' 0 C--N 1.26 -3.303 0 CA-C-N 113.574 -1.648 . . . . 0.0 106.885 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 57.4 m -93.03 134.11 35.5 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.344 0.593 . . . . 0.0 112.574 -175.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.9 mt -125.16 140.17 53.11 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.429 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 57.1 m -117.08 145.72 43.57 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.774 -0.77 . . . . 0.0 111.651 -176.407 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -134.36 109.13 8.59 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 61.93 22.2 12.87 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.707 0.803 . . . . 0.0 112.961 175.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.69 -26.27 13.23 Favored Glycine 0 C--N 1.287 -2.181 0 C-N-CA 120.222 -0.99 . . . . 0.0 112.756 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -90.48 132.02 35.9 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 119.786 -0.766 . . . . 0.0 108.953 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.3 m -108.43 136.27 48.33 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.85 0.833 . . . . 0.0 112.621 -176.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -117.55 136.42 53.28 Favored 'General case' 0 C--N 1.286 -2.169 0 CA-C-N 114.111 -1.404 . . . . 0.0 107.437 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 93.1 m -105.41 130.92 53.4 Favored 'General case' 0 C--N 1.275 -2.668 0 C-N-CA 119.232 -0.987 . . . . 0.0 111.16 178.019 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.6 mm -101.15 94.76 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.194 0 N-CA-C 105.246 -2.131 . . . . 0.0 105.246 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.6 m -96.95 113.54 25.09 Favored 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.038 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 t -126.85 118.14 24.01 Favored 'General case' 0 N--CA 1.401 -2.89 0 CA-C-O 121.923 0.868 . . . . 0.0 112.273 -176.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 . . . . . 0 C--N 1.318 -0.796 0 CA-C-N 113.249 -1.796 . . . . 0.0 113.201 175.384 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.869 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -90.21 114.07 25.99 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 38.3 m -94.32 117.48 30.18 Favored 'General case' 0 N--CA 1.423 -1.808 0 CA-C-O 122.46 1.124 . . . . 0.0 111.626 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -108.71 137.56 46.44 Favored 'General case' 0 C--N 1.28 -2.424 0 CA-C-N 113.348 -1.751 . . . . 0.0 109.063 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 65.4 m -103.31 140.1 37.86 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 119.764 -0.774 . . . . 0.0 112.866 -174.108 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.5 mt -123.5 159.49 28.97 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 -178.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 59.1 m -131.64 135.14 46.69 Favored 'General case' 0 C--N 1.291 -1.959 0 C-N-CA 119.327 -0.949 . . . . 0.0 110.34 177.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -136.23 123.22 21.47 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 176.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 67.01 19.79 10.51 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.594 0.758 . . . . 0.0 110.993 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.65 -5.89 84.18 Favored Glycine 0 C--N 1.307 -1.081 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -95.56 111.31 23.25 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 60.8 m -91.34 130.33 37.21 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 121.814 0.816 . . . . 0.0 112.231 -177.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -131.69 147.23 52.49 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-N 113.92 -1.491 . . . . 0.0 108.254 -176.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 35.8 m -113.48 142.35 46.02 Favored 'General case' 0 C--N 1.293 -1.887 0 C-N-CA 118.811 -1.155 . . . . 0.0 111.867 -174.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.0 tt -118.06 131.35 71.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.047 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 61.3 m -98.46 134.71 41.07 Favored 'General case' 0 C--N 1.286 -2.158 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.851 -178.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.3 m -140.58 123.34 16.29 Favored 'General case' 0 N--CA 1.433 -1.31 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 . . . . . 0 C--N 1.316 -0.865 0 C-N-CA 123.852 0.861 . . . . 0.0 112.44 -177.436 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.572 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -107.37 117.5 34.26 Favored 'General case' 0 CA--C 1.49 -1.338 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 80.8 m -91.87 121.32 33.37 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 122.165 0.983 . . . . 0.0 110.297 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -122.34 130.15 52.85 Favored 'General case' 0 C--N 1.267 -3.008 0 CA-C-N 113.978 -1.465 . . . . 0.0 109.378 -174.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 86.3 m -99.58 135.06 41.56 Favored 'General case' 0 C--N 1.29 -2.017 0 C-N-CA 119.424 -0.911 . . . . 0.0 110.236 177.165 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.2 tp -130.3 136.54 49.25 Favored 'General case' 0 C--N 1.285 -2.202 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.461 -177.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 63.4 m -103.78 126.54 50.98 Favored 'General case' 0 C--N 1.286 -2.179 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.994 178.172 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -144.5 136.4 25.98 Favored 'General case' 0 N--CA 1.432 -1.329 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -176.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 65.24 18.48 11.41 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.264 1.025 . . . . 0.0 110.399 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.68 -14.81 64.04 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.551 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -103.21 145.53 29.8 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -176.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 56.4 m -104.68 127.38 52.42 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 118.602 -1.239 . . . . 0.0 111.989 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -113.65 143.01 45.29 Favored 'General case' 0 C--N 1.279 -2.482 0 CA-C-N 113.818 -1.537 . . . . 0.0 108.389 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 84.1 m -113.71 124.42 52.25 Favored 'General case' 0 C--N 1.282 -2.33 0 C-N-CA 119.48 -0.888 . . . . 0.0 109.851 175.22 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.2 tt -117.05 128.05 74.52 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.94 -177.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 86.4 m -99.31 120.99 40.46 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 120.461 -0.495 . . . . 0.0 109.736 177.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.1 m -132.17 123.08 26.35 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -177.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 . . . . . 0 C--N 1.315 -0.899 0 C-N-CA 124.755 1.222 . . . . 0.0 112.801 178.782 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.793 0 N-CA-C 112.319 -0.312 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -102.71 128.06 49.58 Favored 'General case' 0 CA--C 1.492 -1.278 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 61.2 m -97.94 126.33 43.29 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-O 121.783 0.802 . . . . 0.0 111.075 -178.206 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -110.53 128.5 55.67 Favored 'General case' 0 C--N 1.28 -2.429 0 CA-C-N 114.154 -1.385 . . . . 0.0 107.302 -177.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 70.1 m -101.88 128.87 48.07 Favored 'General case' 0 C--N 1.283 -2.287 0 C-N-CA 119.3 -0.96 . . . . 0.0 112.062 -178.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.6 tp -110.42 116.86 32.17 Favored 'General case' 0 C--N 1.273 -2.728 0 CA-C-N 113.91 -1.495 . . . . 0.0 108.186 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.4 m -114.79 123.14 48.45 Favored 'General case' 0 C--N 1.282 -2.344 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.28 178.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -130.78 113.19 13.8 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 120.922 0.391 . . . . 0.0 110.887 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 60.85 24.94 14.88 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.182 1.393 . . . . 0.0 112.534 174.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.38 -26.02 9.4 Favored Glycine 0 N--CA 1.423 -2.197 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.363 178.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -85.04 107.25 17.06 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.787 0.293 . . . . 0.0 111.009 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 92.9 m -94.61 127.1 40.33 Favored 'General case' 0 CA--C 1.473 -2.018 0 CA-C-O 121.99 0.9 . . . . 0.0 110.754 175.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -128.81 119.95 25.43 Favored 'General case' 0 C--N 1.261 -3.267 0 CA-C-N 113.62 -1.627 . . . . 0.0 109.157 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.3 m -100.4 116.14 31.67 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 121.516 0.674 . . . . 0.0 110.87 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.2 mt -107.64 139.86 28.04 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 -178.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 42.7 m -110.19 137.45 47.91 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.808 -176.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.1 m -144.96 132.3 20.66 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 . . . . . 0 N--CA 1.477 0.911 0 C-N-CA 124.16 0.984 . . . . 0.0 111.524 -177.837 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.235 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -104.88 127.37 52.67 Favored 'General case' 0 CA--C 1.486 -1.505 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -178.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 86.2 m -102.14 122.73 44.71 Favored 'General case' 0 C--N 1.285 -2.228 0 C-N-CA 119.596 -0.842 . . . . 0.0 109.681 175.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -113.22 124.26 52.11 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-N 113.97 -1.468 . . . . 0.0 108.48 -174.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.4 m -104.19 130.31 51.95 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 119.636 -0.826 . . . . 0.0 112.427 -177.393 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -119.66 133.31 55.69 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.011 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 75.0 m -107.21 128.2 54.2 Favored 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 119.773 -0.771 . . . . 0.0 109.46 176.176 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.7 mtm-85 -125.29 105.1 8.86 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.739 -178.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 55.32 28.95 12.09 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 174.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.32 -28.73 6.18 Favored Glycine 0 C--N 1.281 -2.481 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.122 177.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -96.4 124.85 40.53 Favored 'General case' 0 N--CA 1.421 -1.916 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.079 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 85.6 m -102.24 127.4 49.21 Favored 'General case' 0 CA--C 1.472 -2.04 0 CA-C-O 121.775 0.798 . . . . 0.0 109.919 177.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -132.87 146.78 52.11 Favored 'General case' 0 C--N 1.266 -3.032 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.721 -176.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 63.5 m -115.58 132.52 56.6 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-O 121.292 0.568 . . . . 0.0 111.336 -178.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tp -112.52 132.98 59.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 177.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.2 m -104.7 134.61 47.57 Favored 'General case' 0 C--N 1.288 -2.084 0 C-N-CA 120.004 -0.679 . . . . 0.0 110.202 179.045 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 m -130.25 112.61 13.5 Favored 'General case' 0 N--CA 1.426 -1.651 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 . . . . . 0 N--CA 1.483 1.191 0 C-N-CA 127.655 2.382 . . . . 0.0 112.466 177.155 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.648 0 N-CA-C 112.598 -0.201 . . . . 0.0 112.598 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -108.04 126.24 52.5 Favored 'General case' 0 CA--C 1.483 -1.629 0 CA-C-O 121.014 0.435 . . . . 0.0 110.165 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 56.6 m -87.65 129.55 35.09 Favored 'General case' 0 N--CA 1.417 -2.095 0 CA-C-O 121.852 0.834 . . . . 0.0 110.931 -178.166 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -130.62 139.73 50.4 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-N 114.132 -1.394 . . . . 0.0 108.862 -174.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 39.6 m -103.55 126.47 50.72 Favored 'General case' 0 C--N 1.291 -1.97 0 CA-C-O 122.029 0.919 . . . . 0.0 113.047 -173.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -123.46 139.1 54.37 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 114.001 -1.454 . . . . 0.0 108.772 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.2 m -122.87 139.18 54.3 Favored 'General case' 0 C--N 1.293 -1.891 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.927 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -131.86 129.6 40.6 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 176.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 65.76 12.16 8.11 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.578 0.751 . . . . 0.0 112.454 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.78 -13.67 62.22 Favored Glycine 0 C--N 1.313 -0.7 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -175.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -87.16 114.8 24.08 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 123.239 0.616 . . . . 0.0 109.648 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.7 m -96.07 143.6 27.07 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -177.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -140.64 132.12 26.93 Favored 'General case' 0 C--N 1.287 -2.129 0 CA-C-N 114.071 -1.422 . . . . 0.0 109.267 176.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.7 m -98.62 110.44 23.03 Favored 'General case' 0 C--N 1.289 -2.065 0 C-N-CA 119.386 -0.926 . . . . 0.0 109.626 175.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.9 tp -102.43 137.13 31.54 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 36.1 m -97.8 134.03 41.51 Favored 'General case' 0 N--CA 1.41 -2.449 0 C-N-CA 120.016 -0.674 . . . . 0.0 110.145 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.4 m -141.92 131.38 23.78 Favored 'General case' 0 N--CA 1.428 -1.562 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -178.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 . . . . . 0 C--N 1.315 -0.903 0 C-N-CA 124.718 1.207 . . . . 0.0 112.699 -178.15 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.31 0 N-CA-C 111.947 -0.461 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -102.95 138.66 39.53 Favored 'General case' 0 C--O 1.247 0.935 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 85.6 m -108.25 148.51 29.88 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -175.354 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -137.48 132.59 33.53 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 177.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 72.1 m -95.36 141.85 28.44 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.547 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 pp -150.67 162.02 41.49 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.089 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 76.9 m -126.32 136.79 53.18 Favored 'General case' 0 C--N 1.283 -2.294 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 176.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -147.06 135.54 21.87 Favored 'General case' 0 N--CA 1.421 -1.876 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 65.78 14.26 9.44 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.442 1.097 . . . . 0.0 113.269 177.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.98 3.93 57.87 Favored Glycine 0 C--N 1.303 -1.284 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -122.28 137.56 54.8 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 78.2 m -105.38 143.44 33.55 Favored 'General case' 0 CA--C 1.49 -1.343 0 CA-C-O 121.239 0.542 . . . . 0.0 111.732 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -155.5 152.08 28.46 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.264 177.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 79.2 m -108.06 118.26 36.3 Favored 'General case' 0 C--N 1.289 -2.04 0 C-N-CA 119.786 -0.765 . . . . 0.0 109.401 177.31 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.4 tt -103.48 144.43 14.03 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -175.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 56.1 m -117.1 154.71 30.53 Favored 'General case' 0 C--N 1.284 -2.258 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.175 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -143.28 128.01 18.2 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 . . . . . 0 N--CA 1.482 1.133 0 C-N-CA 126.486 1.914 . . . . 0.0 113.483 -176.479 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.172 0 N-CA-C 113.355 0.102 . . . . 0.0 113.355 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -137.89 144.67 41.45 Favored 'General case' 0 C--N 1.309 -1.195 0 O-C-N 121.892 -0.769 . . . . 0.0 109.621 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 56.3 m -93.82 117.25 29.85 Favored 'General case' 0 N--CA 1.428 -1.543 0 C-N-CA 118.649 -1.22 . . . . 0.0 110.428 178.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -108.61 145.69 34.52 Favored 'General case' 0 C--N 1.273 -2.734 0 CA-C-N 113.265 -1.789 . . . . 0.0 108.308 -171.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.464 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 63.1 m -109.12 128.34 54.92 Favored 'General case' 0 N--CA 1.411 -2.399 0 C-N-CA 118.42 -1.312 . . . . 0.0 111.604 178.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.3 tp -112.02 117.13 31.83 Favored 'General case' 0 C--N 1.282 -2.354 0 CA-C-N 114.0 -1.454 . . . . 0.0 108.076 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 34.1 m -107.64 131.06 54.79 Favored 'General case' 0 C--N 1.288 -2.09 0 C-N-CA 119.472 -0.891 . . . . 0.0 108.761 178.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -142.84 134.4 26.46 Favored 'General case' 0 N--CA 1.419 -1.977 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 72.48 -4.5 2.04 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.931 1.292 . . . . 0.0 111.72 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.89 -14.95 19.3 Favored Glycine 0 N--CA 1.43 -1.72 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -175.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -96.05 124.86 40.23 Favored 'General case' 0 C--O 1.246 0.919 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -177.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 79.5 m -94.39 131.6 39.89 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-O 121.911 0.863 . . . . 0.0 112.176 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -126.26 121.91 34.02 Favored 'General case' 0 C--N 1.274 -2.692 0 CA-C-N 113.945 -1.479 . . . . 0.0 108.327 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.464 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.5 m -96.29 126.14 41.29 Favored 'General case' 0 C--N 1.293 -1.875 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.224 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.8 mm -116.35 141.8 32.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 -176.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 78.5 m -96.95 115.69 27.87 Favored 'General case' 0 C--N 1.294 -1.831 0 C-N-CA 119.276 -0.97 . . . . 0.0 108.988 176.249 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.487 HG22 ' HG3' ' A' ' 18' ' ' ARG . 6.1 m -131.35 128.19 39.17 Favored 'General case' 0 N--CA 1.421 -1.889 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.744 -171.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.487 ' HG3' HG22 ' A' ' 17' ' ' THR . 82.9 mtp180 . . . . . 0 C--N 1.314 -0.964 0 C-N-CA 126.008 1.723 . . . . 0.0 115.375 174.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.74 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -129.24 136.51 50.19 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 83.0 m -100.24 132.72 45.45 Favored 'General case' 0 C--N 1.289 -2.028 0 C-N-CA 119.407 -0.917 . . . . 0.0 111.92 -178.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -123.31 115.24 21.36 Favored 'General case' 0 C--N 1.28 -2.447 0 CA-C-N 114.682 -1.144 . . . . 0.0 108.662 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.0 m -93.26 131.95 37.91 Favored 'General case' 0 C--N 1.284 -2.268 0 CA-C-O 121.577 0.703 . . . . 0.0 110.484 179.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.8 tp -124.53 134.15 53.09 Favored 'General case' 0 C--N 1.277 -2.576 0 CA-C-N 114.618 -1.173 . . . . 0.0 108.719 -177.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.5 m -108.37 135.81 49.04 Favored 'General case' 0 C--N 1.296 -1.734 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.251 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -141.87 125.04 16.35 Favored 'General case' 0 N--CA 1.428 -1.556 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.537 -175.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 65.55 18.54 11.29 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.636 1.175 . . . . 0.0 111.735 177.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.29 -3.06 66.06 Favored Glycine 0 C--N 1.308 -1.015 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.468 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -108.7 137.47 46.58 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 82.8 m -104.48 136.0 44.86 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 119.224 -0.99 . . . . 0.0 112.264 -178.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -122.99 121.77 36.91 Favored 'General case' 0 C--N 1.285 -2.233 0 CA-C-N 114.106 -1.406 . . . . 0.0 109.584 -177.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 88.1 m -94.96 125.57 39.72 Favored 'General case' 0 C--N 1.284 -2.268 0 C-N-CA 119.601 -0.839 . . . . 0.0 111.101 176.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.3 mt -115.23 123.7 71.09 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.065 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 63.8 m -107.51 123.85 49.04 Favored 'General case' 0 C--N 1.288 -2.089 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.418 178.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.0 t -143.56 146.42 33.32 Favored 'General case' 0 N--CA 1.419 -2.004 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 . . . . . 0 CA--C 1.545 0.769 0 C-N-CA 124.864 1.265 . . . . 0.0 112.378 178.098 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.3 t70 . . . . . 0 CA--C 1.506 -0.713 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 70.2 m -95.52 130.0 42.51 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-O 121.67 0.748 . . . . 0.0 112.419 -175.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -132.34 137.6 47.46 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 114.508 -1.223 . . . . 0.0 108.977 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.2 m -100.47 128.88 46.41 Favored 'General case' 0 C--N 1.297 -1.685 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.937 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 75.1 mt -135.1 159.81 40.33 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 114.975 -1.011 . . . . 0.0 108.626 -175.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 64.8 m -116.25 126.56 53.76 Favored 'General case' 0 C--N 1.293 -1.85 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.389 176.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -113.64 101.56 9.44 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.294 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 63.47 21.11 12.61 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.759 1.224 . . . . 0.0 112.512 174.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.5 -21.63 10.56 Favored Glycine 0 C--N 1.298 -1.562 0 N-CA-C 111.812 -0.515 . . . . 0.0 111.812 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -90.34 107.51 19.19 Favored 'General case' 0 CA--C 1.494 -1.211 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 69.0 m -85.28 124.58 32.07 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-O 121.885 0.85 . . . . 0.0 109.765 176.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -142.66 150.02 39.66 Favored 'General case' 0 C--N 1.27 -2.856 0 CA-C-N 113.96 -1.473 . . . . 0.0 108.79 -172.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 66.9 m -105.45 118.1 35.7 Favored 'General case' 0 C--N 1.287 -2.125 0 C-N-CA 119.435 -0.906 . . . . 0.0 110.022 178.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.3 tp -102.68 136.64 34.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 62.8 m -112.4 126.32 55.16 Favored 'General case' 0 C--N 1.285 -2.202 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.406 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.296 -1.73 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -179.438 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 CA--C 1.484 -1.584 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 81.9 m -94.85 134.36 37.56 Favored 'General case' 0 N--CA 1.406 -2.673 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.901 178.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -134.11 130.79 37.89 Favored 'General case' 0 C--N 1.277 -2.581 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.964 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.8 m -103.9 128.91 51.38 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-O 121.402 0.62 . . . . 0.0 110.845 -179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.483 HD23 ' H ' ' A' ' 6' ' ' LEU . 2.4 pt? -120.94 145.74 47.39 Favored 'General case' 0 C--N 1.279 -2.464 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.547 -177.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 75.6 m -110.56 128.16 55.53 Favored 'General case' 0 C--N 1.282 -2.363 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -140.65 124.46 17.17 Favored 'General case' 0 N--CA 1.424 -1.756 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -175.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 64.92 20.84 12.22 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.268 0.627 . . . . 0.0 112.662 176.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.64 -8.43 74.25 Favored Glycine 0 C--N 1.303 -1.283 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.532 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -100.5 119.08 37.96 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 84.9 m -94.96 130.17 41.7 Favored 'General case' 0 CA--C 1.467 -2.226 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.212 176.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.5 ttm-85 -141.95 151.26 42.4 Favored 'General case' 0 C--N 1.268 -2.936 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.863 -174.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.7 m -113.36 141.68 46.77 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 119.503 -0.879 . . . . 0.0 111.783 -176.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.5 tt -126.87 143.17 41.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 78.9 m -116.99 135.88 53.36 Favored 'General case' 0 C--N 1.29 -1.989 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.912 178.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m . . . . . 0 C--N 1.301 -1.521 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.504 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 CA--C 1.491 -1.323 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.6 m -99.3 134.99 41.36 Favored 'General case' 0 C--N 1.287 -2.14 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.58 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -135.41 138.4 43.23 Favored 'General case' 0 C--N 1.288 -2.106 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.273 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.9 m -110.01 138.14 46.79 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 119.828 -0.749 . . . . 0.0 111.297 -179.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.5 tp -134.08 144.68 48.76 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.526 -177.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 34.2 m -109.47 129.4 55.56 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -134.35 126.1 28.94 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.533 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 67.98 6.71 5.33 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.063 1.345 . . . . 0.0 112.052 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.07 -2.84 33.4 Favored Glycine 0 N--CA 1.437 -1.273 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.848 -176.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -104.78 123.54 47.83 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.9 m -93.72 122.32 36.06 Favored 'General case' 0 CA--C 1.471 -2.059 0 CA-C-O 122.034 0.921 . . . . 0.0 109.548 176.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -133.04 139.91 47.44 Favored 'General case' 0 C--N 1.263 -3.184 0 CA-C-N 113.835 -1.53 . . . . 0.0 108.367 -173.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 65.9 m -104.57 143.52 32.94 Favored 'General case' 0 C--N 1.292 -1.934 0 C-N-CA 119.523 -0.871 . . . . 0.0 112.025 -177.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.4 tp -124.12 134.56 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.6 m -115.93 137.62 51.93 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 120.552 -0.459 . . . . 0.0 109.981 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.305 -1.337 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.919 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.7 t70 . . . . . 0 CA--C 1.506 -0.718 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 72.8 m -90.3 121.89 32.71 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 122.42 1.105 . . . . 0.0 111.135 177.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -113.23 121.31 44.07 Favored 'General case' 0 C--N 1.268 -2.953 0 CA-C-N 113.198 -1.819 . . . . 0.0 107.621 -176.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.4 m -100.68 136.58 40.32 Favored 'General case' 0 C--N 1.28 -2.425 0 C-N-CA 119.019 -1.072 . . . . 0.0 111.78 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.5 tp -117.22 106.56 13.43 Favored 'General case' 0 C--N 1.28 -2.427 0 CA-C-N 114.263 -1.335 . . . . 0.0 107.749 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 79.8 m -103.0 118.57 37.11 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -143.32 142.45 31.32 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -177.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 63.07 23.22 13.86 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.778 1.231 . . . . 0.0 111.002 178.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.26 22.81 72.63 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.856 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -134.18 123.95 25.21 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 78.7 m -95.52 131.19 41.96 Favored 'General case' 0 CA--C 1.481 -1.678 0 CA-C-O 121.89 0.852 . . . . 0.0 113.001 -178.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 19.2 mmt180 -127.47 128.38 45.63 Favored 'General case' 0 C--N 1.28 -2.45 0 CA-C-N 113.954 -1.476 . . . . 0.0 108.675 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.1 m -110.12 129.7 55.66 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-O 121.513 0.673 . . . . 0.0 112.132 -176.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.6 mm -105.25 126.99 60.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.2 m -111.51 115.02 28.51 Favored 'General case' 0 C--N 1.284 -2.244 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.479 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.4 m . . . . . 0 C--N 1.294 -1.835 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.03 -177.174 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 N--CA 1.451 -0.411 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 68.8 m -97.11 125.25 41.46 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 118.803 -1.159 . . . . 0.0 111.759 -178.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -115.62 121.98 44.22 Favored 'General case' 0 C--N 1.287 -2.113 0 CA-C-N 114.033 -1.439 . . . . 0.0 108.931 -177.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 64.3 m -93.71 133.83 36.67 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.517 0.675 . . . . 0.0 112.078 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.3 tp -131.32 145.99 52.1 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-N 114.629 -1.168 . . . . 0.0 108.889 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 60.3 m -117.24 135.72 53.6 Favored 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 119.509 -0.877 . . . . 0.0 109.457 177.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -132.25 118.2 19.19 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 66.91 13.61 9.51 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.702 0.801 . . . . 0.0 111.896 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.37 -15.91 57.17 Favored Glycine 0 C--N 1.306 -1.13 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -176.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -82.84 105.82 14.16 Favored 'General case' 0 C--O 1.255 1.346 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 63.7 m -87.43 134.67 33.56 Favored 'General case' 0 CA--C 1.481 -1.7 0 CA-C-O 121.697 0.761 . . . . 0.0 111.18 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -143.22 148.09 35.88 Favored 'General case' 0 C--N 1.282 -2.344 0 CA-C-N 114.488 -1.233 . . . . 0.0 108.975 -178.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.0 m -110.4 125.52 53.32 Favored 'General case' 0 N--CA 1.417 -2.075 0 CA-C-O 121.828 0.823 . . . . 0.0 111.684 -178.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.0 mt -102.32 116.4 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.962 0 CA-C-N 114.525 -1.216 . . . . 0.0 107.826 -177.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.5 m -97.69 121.39 39.54 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 120.515 -0.474 . . . . 0.0 109.759 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.4 m . . . . . 0 C--N 1.301 -1.525 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 179.539 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 . . . . . 0 CA--C 1.485 -1.521 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 71.0 m -105.05 139.01 40.36 Favored 'General case' 0 C--N 1.278 -2.504 0 C-N-CA 118.49 -1.284 . . . . 0.0 110.992 175.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -112.81 102.23 10.26 Favored 'General case' 0 C--N 1.285 -2.228 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 176.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 77.9 m -95.27 123.98 39.07 Favored 'General case' 0 C--N 1.29 -2.017 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.188 178.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.0 mt -133.13 151.6 51.98 Favored 'General case' 0 C--N 1.277 -2.562 0 CA-C-N 114.23 -1.35 . . . . 0.0 109.778 -176.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 78.8 m -113.99 123.37 49.55 Favored 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -124.15 111.93 16.49 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.449 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 62.44 28.71 16.95 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 173.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.03 3.64 63.63 Favored Glycine 0 C--N 1.292 -1.88 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.851 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -112.29 106.82 15.47 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 75.0 m -82.37 130.89 35.2 Favored 'General case' 0 CA--C 1.482 -1.653 0 CA-C-O 122.131 0.967 . . . . 0.0 110.3 176.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -136.83 134.7 37.24 Favored 'General case' 0 C--N 1.266 -3.053 0 CA-C-N 113.558 -1.655 . . . . 0.0 110.428 -169.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 92.2 m -109.74 118.22 35.96 Favored 'General case' 0 C--N 1.281 -2.41 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.656 174.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.1 mt -102.78 116.26 46.19 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.99 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.9 m -106.68 132.64 52.43 Favored 'General case' 0 C--N 1.293 -1.853 0 C-N-CA 119.645 -0.822 . . . . 0.0 110.883 -176.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 C--N 1.309 -1.191 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 -179.341 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.4 t70 . . . . . 0 CA--C 1.498 -1.021 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 60.3 m -105.06 130.65 53.21 Favored 'General case' 0 N--CA 1.413 -2.282 0 CA-C-O 121.955 0.883 . . . . 0.0 112.011 -177.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -121.13 128.95 53.03 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-N 114.185 -1.371 . . . . 0.0 108.115 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 27.7 m -95.54 122.65 38.5 Favored 'General case' 0 N--CA 1.414 -2.227 0 CA-C-O 122.281 1.038 . . . . 0.0 111.35 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.441 HD12 HD12 ' A' ' 15' ' ' ILE . 95.6 mt -116.12 140.35 49.38 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 113.169 -1.832 . . . . 0.0 108.803 -177.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 56.3 m -103.11 137.03 41.82 Favored 'General case' 0 C--N 1.291 -1.978 0 C-N-CA 119.537 -0.865 . . . . 0.0 112.423 -177.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -126.61 104.13 7.94 Favored 'General case' 0 N--CA 1.432 -1.375 0 CA-C-N 114.221 -1.354 . . . . 0.0 108.661 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.427 ' HE ' ' HB2' ' A' ' 9' ' ' ARG . 38.0 mtm180 67.06 17.48 10.45 Favored 'General case' 0 N--CA 1.498 1.962 0 C-N-CA 124.21 1.004 . . . . 0.0 110.501 179.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.08 -12.53 62.16 Favored Glycine 0 N--CA 1.437 -1.293 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -176.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -85.81 111.61 20.33 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 57.5 m -91.24 129.53 37.22 Favored 'General case' 0 C--N 1.281 -2.373 0 C-N-CA 118.537 -1.265 . . . . 0.0 111.414 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -123.6 132.27 53.83 Favored 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 114.069 -1.423 . . . . 0.0 109.645 -175.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.3 m -94.5 110.89 22.65 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-O 122.07 0.938 . . . . 0.0 111.028 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.441 HD12 HD12 ' A' ' 6' ' ' LEU . 58.8 mt -102.07 124.92 56.26 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.445 -176.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 52.2 m -103.06 132.93 48.96 Favored 'General case' 0 C--N 1.286 -2.172 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.32 -176.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.426 -1.661 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.494 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.4 t70 . . . . . 0 N--CA 1.443 -0.781 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 67.6 m -91.94 136.6 33.04 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.725 0.774 . . . . 0.0 112.615 -174.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -131.93 137.45 47.96 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 114.391 -1.277 . . . . 0.0 108.089 -173.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 63.2 m -108.1 128.92 55.11 Favored 'General case' 0 C--N 1.286 -2.168 0 C-N-CA 118.892 -1.123 . . . . 0.0 111.353 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.9 mp -112.29 141.03 46.5 Favored 'General case' 0 C--N 1.286 -2.152 0 CA-C-N 114.485 -1.234 . . . . 0.0 107.812 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 80.9 m -115.09 132.16 56.69 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.205 -0.998 . . . . 0.0 111.426 -177.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 8' ' ' ARG . 29.4 mmt180 -128.74 115.67 18.33 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 65.04 19.71 11.9 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.828 0.851 . . . . 0.0 111.798 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.6 -9.06 68.94 Favored Glycine 0 C--N 1.308 -1.019 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.186 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -98.76 128.09 44.89 Favored 'General case' 0 CA--C 1.493 -1.24 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 176.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 58.3 m -103.01 139.29 38.77 Favored 'General case' 0 C--N 1.283 -2.283 0 C-N-CA 118.851 -1.14 . . . . 0.0 112.238 -175.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -123.2 131.15 53.57 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 114.608 -1.178 . . . . 0.0 108.296 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.1 m -105.13 120.93 42.74 Favored 'General case' 0 C--N 1.287 -2.139 0 C-N-CA 119.963 -0.695 . . . . 0.0 110.828 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.2 pt -108.78 167.44 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.277 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 59.3 m -128.87 125.74 38.29 Favored 'General case' 0 C--N 1.282 -2.343 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.649 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.426 -1.671 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.44 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.6 t70 . . . . . 0 CA--C 1.512 -0.497 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 38.9 m -94.94 134.1 37.97 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -173.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 70.9 mtm180 -138.36 172.58 12.68 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -175.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 29.5 m -113.2 129.84 56.4 Favored 'General case' 0 N--CA 1.415 -2.192 0 C-N-CA 118.66 -1.216 . . . . 0.0 112.093 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.4 mt -120.67 162.08 20.3 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 114.465 -1.243 . . . . 0.0 107.962 -174.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 41.2 m -115.82 134.4 55.05 Favored 'General case' 0 C--N 1.284 -2.267 0 C-N-CA 119.209 -0.996 . . . . 0.0 110.493 178.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -114.91 100.71 8.41 Favored 'General case' 0 N--CA 1.422 -1.855 0 CA-C-N 115.041 -0.981 . . . . 0.0 108.446 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 61.55 16.55 7.73 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.416 1.086 . . . . 0.0 112.985 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.15 -24.66 7.72 Favored Glycine 0 C--N 1.311 -0.823 0 C-N-CA 121.236 -0.506 . . . . 0.0 112.497 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -86.6 113.74 22.75 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 177.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 56.9 m -90.06 127.49 36.08 Favored 'General case' 0 C--N 1.294 -1.828 0 C-N-CA 119.692 -0.803 . . . . 0.0 110.856 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 -147.85 147.81 30.2 Favored 'General case' 0 C--N 1.284 -2.279 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.118 -172.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 23.4 m -90.64 129.8 36.72 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -172.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.6 mm -132.92 150.18 32.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 -174.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 34.3 m -97.14 141.14 30.63 Favored 'General case' 0 C--N 1.294 -1.832 0 C-N-CA 119.322 -0.951 . . . . 0.0 111.801 -177.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.431 -1.377 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -176.889 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 CA--C 1.498 -1.053 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 84.1 m -104.74 135.18 46.6 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.174 0.511 . . . . 0.0 111.03 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.9 mtm-85 -139.32 134.47 32.58 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.392 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 74.5 m -99.3 121.49 41.16 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-O 122.133 0.968 . . . . 0.0 109.328 173.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.4 tp -106.77 111.56 24.13 Favored 'General case' 0 C--N 1.259 -3.339 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.747 -176.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 80.6 m -94.42 118.66 31.97 Favored 'General case' 0 N--CA 1.422 -1.832 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.09 174.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -116.27 105.46 12.58 Favored 'General case' 0 N--CA 1.42 -1.956 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.682 -176.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 61.65 27.82 17.14 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 121.705 0.764 . . . . 0.0 112.423 178.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.16 -21.18 40.63 Favored Glycine 0 C--N 1.287 -2.19 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.133 178.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -89.78 119.63 30.34 Favored 'General case' 0 CA--C 1.495 -1.148 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 58.9 m -96.31 129.46 43.64 Favored 'General case' 0 N--CA 1.419 -2.008 0 CA-C-O 122.351 1.072 . . . . 0.0 112.617 -176.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -117.18 118.48 32.43 Favored 'General case' 0 C--N 1.271 -2.829 0 CA-C-N 113.282 -1.781 . . . . 0.0 108.003 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 90.8 m -99.39 123.91 44.06 Favored 'General case' 0 C--N 1.277 -2.582 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.159 175.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.6 tt -137.45 145.19 29.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.154 -176.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 82.1 m -112.82 143.67 43.67 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 C--N 1.3 -1.573 0 CA-C-O 120.9 0.381 . . . . 0.0 109.982 177.174 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.7 t70 . . . . . 0 CA--C 1.5 -0.962 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 69.8 m -101.41 133.54 45.88 Favored 'General case' 0 C--N 1.288 -2.087 0 CA-C-O 121.44 0.638 . . . . 0.0 111.246 -178.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -116.19 151.39 35.81 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 84.8 m -117.32 136.74 52.91 Favored 'General case' 0 C--N 1.286 -2.183 0 C-N-CA 119.273 -0.971 . . . . 0.0 111.558 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.7 tp -123.81 145.93 48.71 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.314 -174.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 70.8 m -132.16 125.78 32.03 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 177.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -136.44 122.77 20.6 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 120.92 0.391 . . . . 0.0 110.872 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 64.5 19.74 11.91 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.591 1.157 . . . . 0.0 112.3 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.28 -15.59 56.14 Favored Glycine 0 N--CA 1.436 -1.323 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -86.75 109.95 19.58 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 120.764 0.316 . . . . 0.0 110.384 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 79.6 m -95.05 132.86 39.48 Favored 'General case' 0 CA--C 1.479 -1.764 0 CA-C-O 121.938 0.875 . . . . 0.0 110.776 177.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -144.98 138.02 26.51 Favored 'General case' 0 C--N 1.269 -2.904 0 CA-C-N 114.128 -1.396 . . . . 0.0 109.606 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 64.2 m -98.81 142.89 29.77 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.628 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.8 tt -124.82 135.46 63.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 34.4 m -108.92 138.28 45.51 Favored 'General case' 0 C--N 1.291 -1.949 0 C-N-CA 119.785 -0.766 . . . . 0.0 111.136 -178.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 m . . . . . 0 C--N 1.315 -0.926 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.793 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 CA--C 1.495 -1.145 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 88.3 m -101.54 117.79 35.64 Favored 'General case' 0 CA--C 1.478 -1.813 0 C-N-CA 119.233 -0.987 . . . . 0.0 110.895 176.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -114.97 104.11 11.58 Favored 'General case' 0 C--N 1.26 -3.303 0 CA-C-N 113.574 -1.648 . . . . 0.0 106.885 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 57.4 m -93.03 134.11 35.5 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.344 0.593 . . . . 0.0 112.574 -175.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.9 mt -125.16 140.17 53.11 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.429 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 57.1 m -117.08 145.72 43.57 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.774 -0.77 . . . . 0.0 111.651 -176.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -134.36 109.13 8.59 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 61.93 22.2 12.87 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.707 0.803 . . . . 0.0 112.961 175.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.69 -26.27 13.23 Favored Glycine 0 C--N 1.287 -2.181 0 C-N-CA 120.222 -0.99 . . . . 0.0 112.756 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -90.48 132.02 35.9 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 119.786 -0.766 . . . . 0.0 108.953 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.3 m -108.43 136.27 48.33 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.85 0.833 . . . . 0.0 112.621 -176.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -117.55 136.42 53.28 Favored 'General case' 0 C--N 1.286 -2.169 0 CA-C-N 114.111 -1.404 . . . . 0.0 107.437 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 93.1 m -105.41 130.92 53.4 Favored 'General case' 0 C--N 1.275 -2.668 0 C-N-CA 119.232 -0.987 . . . . 0.0 111.16 178.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.6 mm -101.15 94.76 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.194 0 N-CA-C 105.246 -2.131 . . . . 0.0 105.246 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.6 m -96.95 113.54 25.09 Favored 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.038 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.401 -2.89 0 CA-C-O 121.923 0.868 . . . . 0.0 112.273 -176.199 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 CA--C 1.492 -1.285 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 38.3 m -94.32 117.48 30.18 Favored 'General case' 0 N--CA 1.423 -1.808 0 CA-C-O 122.46 1.124 . . . . 0.0 111.626 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -108.71 137.56 46.44 Favored 'General case' 0 C--N 1.28 -2.424 0 CA-C-N 113.348 -1.751 . . . . 0.0 109.063 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 65.4 m -103.31 140.1 37.86 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 119.764 -0.774 . . . . 0.0 112.866 -174.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.5 mt -123.5 159.49 28.97 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 -178.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 59.1 m -131.64 135.14 46.69 Favored 'General case' 0 C--N 1.291 -1.959 0 C-N-CA 119.327 -0.949 . . . . 0.0 110.34 177.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -136.23 123.22 21.47 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 176.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 67.01 19.79 10.51 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.594 0.758 . . . . 0.0 110.993 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.65 -5.89 84.18 Favored Glycine 0 C--N 1.307 -1.081 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -95.56 111.31 23.25 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 60.8 m -91.34 130.33 37.21 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 121.814 0.816 . . . . 0.0 112.231 -177.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -131.69 147.23 52.49 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-N 113.92 -1.491 . . . . 0.0 108.254 -176.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 35.8 m -113.48 142.35 46.02 Favored 'General case' 0 C--N 1.293 -1.887 0 C-N-CA 118.811 -1.155 . . . . 0.0 111.867 -174.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.0 tt -118.06 131.35 71.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.047 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 61.3 m -98.46 134.71 41.07 Favored 'General case' 0 C--N 1.286 -2.158 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.851 -178.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.3 m . . . . . 0 N--CA 1.433 -1.31 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 178.233 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 CA--C 1.49 -1.338 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 80.8 m -91.87 121.32 33.37 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 122.165 0.983 . . . . 0.0 110.297 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -122.34 130.15 52.85 Favored 'General case' 0 C--N 1.267 -3.008 0 CA-C-N 113.978 -1.465 . . . . 0.0 109.378 -174.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 86.3 m -99.58 135.06 41.56 Favored 'General case' 0 C--N 1.29 -2.017 0 C-N-CA 119.424 -0.911 . . . . 0.0 110.236 177.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.2 tp -130.3 136.54 49.25 Favored 'General case' 0 C--N 1.285 -2.202 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.461 -177.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 63.4 m -103.78 126.54 50.98 Favored 'General case' 0 C--N 1.286 -2.179 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.994 178.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -144.5 136.4 25.98 Favored 'General case' 0 N--CA 1.432 -1.329 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -176.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 65.24 18.48 11.41 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.264 1.025 . . . . 0.0 110.399 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.68 -14.81 64.04 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.551 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -103.21 145.53 29.8 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -176.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 56.4 m -104.68 127.38 52.42 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 118.602 -1.239 . . . . 0.0 111.989 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -113.65 143.01 45.29 Favored 'General case' 0 C--N 1.279 -2.482 0 CA-C-N 113.818 -1.537 . . . . 0.0 108.389 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 84.1 m -113.71 124.42 52.25 Favored 'General case' 0 C--N 1.282 -2.33 0 C-N-CA 119.48 -0.888 . . . . 0.0 109.851 175.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.2 tt -117.05 128.05 74.52 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.94 -177.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 86.4 m -99.31 120.99 40.46 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 120.461 -0.495 . . . . 0.0 109.736 177.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 C--N 1.303 -1.413 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -177.535 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.4 t70 . . . . . 0 CA--C 1.492 -1.278 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 61.2 m -97.94 126.33 43.29 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-O 121.783 0.802 . . . . 0.0 111.075 -178.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -110.53 128.5 55.67 Favored 'General case' 0 C--N 1.28 -2.429 0 CA-C-N 114.154 -1.385 . . . . 0.0 107.302 -177.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 70.1 m -101.88 128.87 48.07 Favored 'General case' 0 C--N 1.283 -2.287 0 C-N-CA 119.3 -0.96 . . . . 0.0 112.062 -178.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.6 tp -110.42 116.86 32.17 Favored 'General case' 0 C--N 1.273 -2.728 0 CA-C-N 113.91 -1.495 . . . . 0.0 108.186 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.4 m -114.79 123.14 48.45 Favored 'General case' 0 C--N 1.282 -2.344 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.28 178.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -130.78 113.19 13.8 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 120.922 0.391 . . . . 0.0 110.887 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 60.85 24.94 14.88 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.182 1.393 . . . . 0.0 112.534 174.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.38 -26.02 9.4 Favored Glycine 0 N--CA 1.423 -2.197 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.363 178.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -85.04 107.25 17.06 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.787 0.293 . . . . 0.0 111.009 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 92.9 m -94.61 127.1 40.33 Favored 'General case' 0 CA--C 1.473 -2.018 0 CA-C-O 121.99 0.9 . . . . 0.0 110.754 175.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -128.81 119.95 25.43 Favored 'General case' 0 C--N 1.261 -3.267 0 CA-C-N 113.62 -1.627 . . . . 0.0 109.157 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.3 m -100.4 116.14 31.67 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 121.516 0.674 . . . . 0.0 110.87 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.2 mt -107.64 139.86 28.04 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 -178.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 42.7 m -110.19 137.45 47.91 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.808 -176.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.1 m . . . . . 0 C--N 1.306 -1.296 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.02 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 . . . . . 0 CA--C 1.486 -1.505 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 86.2 m -102.14 122.73 44.71 Favored 'General case' 0 C--N 1.285 -2.228 0 C-N-CA 119.596 -0.842 . . . . 0.0 109.681 175.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -113.22 124.26 52.11 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-N 113.97 -1.468 . . . . 0.0 108.48 -174.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.4 m -104.19 130.31 51.95 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 119.636 -0.826 . . . . 0.0 112.427 -177.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -119.66 133.31 55.69 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.011 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 75.0 m -107.21 128.2 54.2 Favored 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 119.773 -0.771 . . . . 0.0 109.46 176.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.7 mtm-85 -125.29 105.1 8.86 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.739 -178.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 55.32 28.95 12.09 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 174.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.32 -28.73 6.18 Favored Glycine 0 C--N 1.281 -2.481 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.122 177.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -96.4 124.85 40.53 Favored 'General case' 0 N--CA 1.421 -1.916 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.079 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 85.6 m -102.24 127.4 49.21 Favored 'General case' 0 CA--C 1.472 -2.04 0 CA-C-O 121.775 0.798 . . . . 0.0 109.919 177.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -132.87 146.78 52.11 Favored 'General case' 0 C--N 1.266 -3.032 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.721 -176.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 63.5 m -115.58 132.52 56.6 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-O 121.292 0.568 . . . . 0.0 111.336 -178.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tp -112.52 132.98 59.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 177.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.2 m -104.7 134.61 47.57 Favored 'General case' 0 C--N 1.288 -2.084 0 C-N-CA 120.004 -0.679 . . . . 0.0 110.202 179.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.426 -1.651 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -179.476 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 . . . . . 0 CA--C 1.483 -1.629 0 CA-C-O 121.014 0.435 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 56.6 m -87.65 129.55 35.09 Favored 'General case' 0 N--CA 1.417 -2.095 0 CA-C-O 121.852 0.834 . . . . 0.0 110.931 -178.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -130.62 139.73 50.4 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-N 114.132 -1.394 . . . . 0.0 108.862 -174.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 39.6 m -103.55 126.47 50.72 Favored 'General case' 0 C--N 1.291 -1.97 0 CA-C-O 122.029 0.919 . . . . 0.0 113.047 -173.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -123.46 139.1 54.37 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 114.001 -1.454 . . . . 0.0 108.772 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.2 m -122.87 139.18 54.3 Favored 'General case' 0 C--N 1.293 -1.891 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.927 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -131.86 129.6 40.6 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 176.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 65.76 12.16 8.11 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.578 0.751 . . . . 0.0 112.454 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.78 -13.67 62.22 Favored Glycine 0 C--N 1.313 -0.7 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -175.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -87.16 114.8 24.08 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 123.239 0.616 . . . . 0.0 109.648 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.7 m -96.07 143.6 27.07 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -177.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -140.64 132.12 26.93 Favored 'General case' 0 C--N 1.287 -2.129 0 CA-C-N 114.071 -1.422 . . . . 0.0 109.267 176.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.7 m -98.62 110.44 23.03 Favored 'General case' 0 C--N 1.289 -2.065 0 C-N-CA 119.386 -0.926 . . . . 0.0 109.626 175.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.9 tp -102.43 137.13 31.54 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 36.1 m -97.8 134.03 41.51 Favored 'General case' 0 N--CA 1.41 -2.449 0 C-N-CA 120.016 -0.674 . . . . 0.0 110.145 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.428 -1.562 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -178.945 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.5 t70 . . . . . 0 C--O 1.247 0.935 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 85.6 m -108.25 148.51 29.88 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -175.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -137.48 132.59 33.53 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 177.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 72.1 m -95.36 141.85 28.44 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.547 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 pp -150.67 162.02 41.49 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.089 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 76.9 m -126.32 136.79 53.18 Favored 'General case' 0 C--N 1.283 -2.294 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 176.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -147.06 135.54 21.87 Favored 'General case' 0 N--CA 1.421 -1.876 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 65.78 14.26 9.44 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.442 1.097 . . . . 0.0 113.269 177.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.98 3.93 57.87 Favored Glycine 0 C--N 1.303 -1.284 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -122.28 137.56 54.8 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 78.2 m -105.38 143.44 33.55 Favored 'General case' 0 CA--C 1.49 -1.343 0 CA-C-O 121.239 0.542 . . . . 0.0 111.732 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -155.5 152.08 28.46 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.264 177.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 79.2 m -108.06 118.26 36.3 Favored 'General case' 0 C--N 1.289 -2.04 0 C-N-CA 119.786 -0.765 . . . . 0.0 109.401 177.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.4 tt -103.48 144.43 14.03 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -175.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 56.1 m -117.1 154.71 30.53 Favored 'General case' 0 C--N 1.284 -2.258 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.175 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 C--N 1.302 -1.458 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.845 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 CA--C 1.503 -0.853 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 56.3 m -93.82 117.25 29.85 Favored 'General case' 0 N--CA 1.428 -1.543 0 C-N-CA 118.649 -1.22 . . . . 0.0 110.428 178.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -108.61 145.69 34.52 Favored 'General case' 0 C--N 1.273 -2.734 0 CA-C-N 113.265 -1.789 . . . . 0.0 108.308 -171.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.464 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 63.1 m -109.12 128.34 54.92 Favored 'General case' 0 N--CA 1.411 -2.399 0 C-N-CA 118.42 -1.312 . . . . 0.0 111.604 178.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.3 tp -112.02 117.13 31.83 Favored 'General case' 0 C--N 1.282 -2.354 0 CA-C-N 114.0 -1.454 . . . . 0.0 108.076 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 34.1 m -107.64 131.06 54.79 Favored 'General case' 0 C--N 1.288 -2.09 0 C-N-CA 119.472 -0.891 . . . . 0.0 108.761 178.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -142.84 134.4 26.46 Favored 'General case' 0 N--CA 1.419 -1.977 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 72.48 -4.5 2.04 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.931 1.292 . . . . 0.0 111.72 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.89 -14.95 19.3 Favored Glycine 0 N--CA 1.43 -1.72 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -175.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -96.05 124.86 40.23 Favored 'General case' 0 C--O 1.246 0.919 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -177.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 79.5 m -94.39 131.6 39.89 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-O 121.911 0.863 . . . . 0.0 112.176 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -126.26 121.91 34.02 Favored 'General case' 0 C--N 1.274 -2.692 0 CA-C-N 113.945 -1.479 . . . . 0.0 108.327 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.464 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.5 m -96.29 126.14 41.29 Favored 'General case' 0 C--N 1.293 -1.875 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.224 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.8 mm -116.35 141.8 32.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 -176.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 78.5 m -96.95 115.69 27.87 Favored 'General case' 0 C--N 1.294 -1.831 0 C-N-CA 119.276 -0.97 . . . . 0.0 108.988 176.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 m . . . . . 0 N--CA 1.421 -1.889 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.744 -171.652 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.2 t70 . . . . . 0 CA--C 1.509 -0.601 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 83.0 m -100.24 132.72 45.45 Favored 'General case' 0 C--N 1.289 -2.028 0 C-N-CA 119.407 -0.917 . . . . 0.0 111.92 -178.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -123.31 115.24 21.36 Favored 'General case' 0 C--N 1.28 -2.447 0 CA-C-N 114.682 -1.144 . . . . 0.0 108.662 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.0 m -93.26 131.95 37.91 Favored 'General case' 0 C--N 1.284 -2.268 0 CA-C-O 121.577 0.703 . . . . 0.0 110.484 179.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.8 tp -124.53 134.15 53.09 Favored 'General case' 0 C--N 1.277 -2.576 0 CA-C-N 114.618 -1.173 . . . . 0.0 108.719 -177.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.5 m -108.37 135.81 49.04 Favored 'General case' 0 C--N 1.296 -1.734 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.251 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -141.87 125.04 16.35 Favored 'General case' 0 N--CA 1.428 -1.556 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.537 -175.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 65.55 18.54 11.29 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.636 1.175 . . . . 0.0 111.735 177.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.29 -3.06 66.06 Favored Glycine 0 C--N 1.308 -1.015 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.468 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -108.7 137.47 46.58 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 82.8 m -104.48 136.0 44.86 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 119.224 -0.99 . . . . 0.0 112.264 -178.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -122.99 121.77 36.91 Favored 'General case' 0 C--N 1.285 -2.233 0 CA-C-N 114.106 -1.406 . . . . 0.0 109.584 -177.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 88.1 m -94.96 125.57 39.72 Favored 'General case' 0 C--N 1.284 -2.268 0 C-N-CA 119.601 -0.839 . . . . 0.0 111.101 176.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.3 mt -115.23 123.7 71.09 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.065 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 63.8 m -107.51 123.85 49.04 Favored 'General case' 0 C--N 1.288 -2.089 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.418 178.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 N--CA 1.419 -2.004 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.931 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.701 0 N-CA-C 111.849 -0.5 . . . . 0.0 111.849 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -94.03 109.41 21.16 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 70.2 m -95.52 130.0 42.51 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-O 121.67 0.748 . . . . 0.0 112.419 -175.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -132.34 137.6 47.46 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 114.508 -1.223 . . . . 0.0 108.977 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.2 m -100.47 128.88 46.41 Favored 'General case' 0 C--N 1.297 -1.685 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.937 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 75.1 mt -135.1 159.81 40.33 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 114.975 -1.011 . . . . 0.0 108.626 -175.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 64.8 m -116.25 126.56 53.76 Favored 'General case' 0 C--N 1.293 -1.85 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.389 176.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -113.64 101.56 9.44 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.294 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 63.47 21.11 12.61 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.759 1.224 . . . . 0.0 112.512 174.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.5 -21.63 10.56 Favored Glycine 0 C--N 1.298 -1.562 0 N-CA-C 111.812 -0.515 . . . . 0.0 111.812 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -90.34 107.51 19.19 Favored 'General case' 0 CA--C 1.494 -1.211 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 69.0 m -85.28 124.58 32.07 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-O 121.885 0.85 . . . . 0.0 109.765 176.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -142.66 150.02 39.66 Favored 'General case' 0 C--N 1.27 -2.856 0 CA-C-N 113.96 -1.473 . . . . 0.0 108.79 -172.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 66.9 m -105.45 118.1 35.7 Favored 'General case' 0 C--N 1.287 -2.125 0 C-N-CA 119.435 -0.906 . . . . 0.0 110.022 178.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.3 tp -102.68 136.64 34.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 62.8 m -112.4 126.32 55.16 Favored 'General case' 0 C--N 1.285 -2.202 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.406 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 m -120.0 119.04 32.26 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 . . . . . 0 C--N 1.317 -0.809 0 C-N-CA 124.451 1.1 . . . . 0.0 112.156 -179.245 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.926 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -92.26 111.81 23.51 Favored 'General case' 0 CA--C 1.484 -1.584 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 81.9 m -94.85 134.36 37.56 Favored 'General case' 0 N--CA 1.406 -2.673 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.901 178.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -134.11 130.79 37.89 Favored 'General case' 0 C--N 1.277 -2.581 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.964 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.8 m -103.9 128.91 51.38 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-O 121.402 0.62 . . . . 0.0 110.845 -179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.483 HD23 ' H ' ' A' ' 6' ' ' LEU . 2.4 pt? -120.94 145.74 47.39 Favored 'General case' 0 C--N 1.279 -2.464 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.547 -177.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 75.6 m -110.56 128.16 55.53 Favored 'General case' 0 C--N 1.282 -2.363 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -140.65 124.46 17.17 Favored 'General case' 0 N--CA 1.424 -1.756 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -175.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 64.92 20.84 12.22 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.268 0.627 . . . . 0.0 112.662 176.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.64 -8.43 74.25 Favored Glycine 0 C--N 1.303 -1.283 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.532 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -100.5 119.08 37.96 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 84.9 m -94.96 130.17 41.7 Favored 'General case' 0 CA--C 1.467 -2.226 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.212 176.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.5 ttm-85 -141.95 151.26 42.4 Favored 'General case' 0 C--N 1.268 -2.936 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.863 -174.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.7 m -113.36 141.68 46.77 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 119.503 -0.879 . . . . 0.0 111.783 -176.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.5 tt -126.87 143.17 41.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 78.9 m -116.99 135.88 53.36 Favored 'General case' 0 C--N 1.29 -1.989 0 C-N-CA 120.004 -0.678 . . . . 0.0 109.912 178.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m -141.01 121.91 14.48 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 . . . . . 0 C--N 1.315 -0.916 0 C-N-CA 125.557 1.543 . . . . 0.0 112.281 -179.099 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.04 0 N-CA-C 112.016 -0.434 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -91.2 112.86 24.95 Favored 'General case' 0 CA--C 1.491 -1.323 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.6 m -99.3 134.99 41.36 Favored 'General case' 0 C--N 1.287 -2.14 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.58 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -135.41 138.4 43.23 Favored 'General case' 0 C--N 1.288 -2.106 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.273 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.9 m -110.01 138.14 46.79 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 119.828 -0.749 . . . . 0.0 111.297 -179.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.5 tp -134.08 144.68 48.76 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.526 -177.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 34.2 m -109.47 129.4 55.56 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -134.35 126.1 28.94 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.533 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 67.98 6.71 5.33 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.063 1.345 . . . . 0.0 112.052 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.07 -2.84 33.4 Favored Glycine 0 N--CA 1.437 -1.273 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.848 -176.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -104.78 123.54 47.83 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.9 m -93.72 122.32 36.06 Favored 'General case' 0 CA--C 1.471 -2.059 0 CA-C-O 122.034 0.921 . . . . 0.0 109.548 176.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -133.04 139.91 47.44 Favored 'General case' 0 C--N 1.263 -3.184 0 CA-C-N 113.835 -1.53 . . . . 0.0 108.367 -173.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 65.9 m -104.57 143.52 32.94 Favored 'General case' 0 C--N 1.292 -1.934 0 C-N-CA 119.523 -0.871 . . . . 0.0 112.025 -177.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.4 tp -124.12 134.56 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.6 m -115.93 137.62 51.93 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 120.552 -0.459 . . . . 0.0 109.981 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.4 m -127.61 110.95 13.2 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.7 mtm-85 . . . . . 0 N--CA 1.477 0.878 0 C-N-CA 127.434 2.294 . . . . 0.0 109.752 -178.534 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.83 0 N-CA-C 112.215 -0.354 . . . . 0.0 112.215 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -122.09 109.77 14.96 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 72.8 m -90.3 121.89 32.71 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 122.42 1.105 . . . . 0.0 111.135 177.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -113.23 121.31 44.07 Favored 'General case' 0 C--N 1.268 -2.953 0 CA-C-N 113.198 -1.819 . . . . 0.0 107.621 -176.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.4 m -100.68 136.58 40.32 Favored 'General case' 0 C--N 1.28 -2.425 0 C-N-CA 119.019 -1.072 . . . . 0.0 111.78 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.5 tp -117.22 106.56 13.43 Favored 'General case' 0 C--N 1.28 -2.427 0 CA-C-N 114.263 -1.335 . . . . 0.0 107.749 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 79.8 m -103.0 118.57 37.11 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -143.32 142.45 31.32 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -177.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 63.07 23.22 13.86 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.778 1.231 . . . . 0.0 111.002 178.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.26 22.81 72.63 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.856 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -134.18 123.95 25.21 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 78.7 m -95.52 131.19 41.96 Favored 'General case' 0 CA--C 1.481 -1.678 0 CA-C-O 121.89 0.852 . . . . 0.0 113.001 -178.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 19.2 mmt180 -127.47 128.38 45.63 Favored 'General case' 0 C--N 1.28 -2.45 0 CA-C-N 113.954 -1.476 . . . . 0.0 108.675 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.1 m -110.12 129.7 55.66 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-O 121.513 0.673 . . . . 0.0 112.132 -176.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.6 mm -105.25 126.99 60.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.2 m -111.51 115.02 28.51 Favored 'General case' 0 C--N 1.284 -2.244 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.479 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.4 m -107.2 101.3 10.71 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.03 -177.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.483 0 C-N-CA 127.954 2.502 . . . . 0.0 113.113 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.643 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -126.36 130.11 50.12 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 68.8 m -97.11 125.25 41.46 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 118.803 -1.159 . . . . 0.0 111.759 -178.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -115.62 121.98 44.22 Favored 'General case' 0 C--N 1.287 -2.113 0 CA-C-N 114.033 -1.439 . . . . 0.0 108.931 -177.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 64.3 m -93.71 133.83 36.67 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.517 0.675 . . . . 0.0 112.078 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.3 tp -131.32 145.99 52.1 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-N 114.629 -1.168 . . . . 0.0 108.889 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 60.3 m -117.24 135.72 53.6 Favored 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 119.509 -0.877 . . . . 0.0 109.457 177.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -132.25 118.2 19.19 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 66.91 13.61 9.51 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.702 0.801 . . . . 0.0 111.896 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.37 -15.91 57.17 Favored Glycine 0 C--N 1.306 -1.13 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -176.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -82.84 105.82 14.16 Favored 'General case' 0 C--O 1.255 1.346 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 63.7 m -87.43 134.67 33.56 Favored 'General case' 0 CA--C 1.481 -1.7 0 CA-C-O 121.697 0.761 . . . . 0.0 111.18 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -143.22 148.09 35.88 Favored 'General case' 0 C--N 1.282 -2.344 0 CA-C-N 114.488 -1.233 . . . . 0.0 108.975 -178.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.0 m -110.4 125.52 53.32 Favored 'General case' 0 N--CA 1.417 -2.075 0 CA-C-O 121.828 0.823 . . . . 0.0 111.684 -178.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.0 mt -102.32 116.4 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.962 0 CA-C-N 114.525 -1.216 . . . . 0.0 107.826 -177.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.5 m -97.69 121.39 39.54 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 120.515 -0.474 . . . . 0.0 109.759 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.4 m -149.16 147.19 28.15 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 . . . . . 0 N--CA 1.479 1.019 0 C-N-CA 124.991 1.316 . . . . 0.0 110.396 -179.671 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.138 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -106.19 139.91 39.96 Favored 'General case' 0 CA--C 1.485 -1.521 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 71.0 m -105.05 139.01 40.36 Favored 'General case' 0 C--N 1.278 -2.504 0 C-N-CA 118.49 -1.284 . . . . 0.0 110.992 175.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -112.81 102.23 10.26 Favored 'General case' 0 C--N 1.285 -2.228 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 176.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 77.9 m -95.27 123.98 39.07 Favored 'General case' 0 C--N 1.29 -2.017 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.188 178.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.0 mt -133.13 151.6 51.98 Favored 'General case' 0 C--N 1.277 -2.562 0 CA-C-N 114.23 -1.35 . . . . 0.0 109.778 -176.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 78.8 m -113.99 123.37 49.55 Favored 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -124.15 111.93 16.49 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.449 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 62.44 28.71 16.95 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 173.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.03 3.64 63.63 Favored Glycine 0 C--N 1.292 -1.88 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.851 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -112.29 106.82 15.47 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 75.0 m -82.37 130.89 35.2 Favored 'General case' 0 CA--C 1.482 -1.653 0 CA-C-O 122.131 0.967 . . . . 0.0 110.3 176.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -136.83 134.7 37.24 Favored 'General case' 0 C--N 1.266 -3.053 0 CA-C-N 113.558 -1.655 . . . . 0.0 110.428 -169.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 92.2 m -109.74 118.22 35.96 Favored 'General case' 0 C--N 1.281 -2.41 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.656 174.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.1 mt -102.78 116.26 46.19 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.99 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.9 m -106.68 132.64 52.43 Favored 'General case' 0 C--N 1.293 -1.853 0 C-N-CA 119.645 -0.822 . . . . 0.0 110.883 -176.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 m -148.36 138.17 22.31 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 . . . . . 0 N--CA 1.496 1.829 0 C-N-CA 126.054 1.741 . . . . 0.0 112.076 -179.821 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.618 0 N-CA-C 111.923 -0.471 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -103.62 135.12 45.79 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 60.3 m -105.06 130.65 53.21 Favored 'General case' 0 N--CA 1.413 -2.282 0 CA-C-O 121.955 0.883 . . . . 0.0 112.011 -177.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -121.13 128.95 53.03 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-N 114.185 -1.371 . . . . 0.0 108.115 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 27.7 m -95.54 122.65 38.5 Favored 'General case' 0 N--CA 1.414 -2.227 0 CA-C-O 122.281 1.038 . . . . 0.0 111.35 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.441 HD12 HD12 ' A' ' 15' ' ' ILE . 95.6 mt -116.12 140.35 49.38 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 113.169 -1.832 . . . . 0.0 108.803 -177.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 56.3 m -103.11 137.03 41.82 Favored 'General case' 0 C--N 1.291 -1.978 0 C-N-CA 119.537 -0.865 . . . . 0.0 112.423 -177.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -126.61 104.13 7.94 Favored 'General case' 0 N--CA 1.432 -1.375 0 CA-C-N 114.221 -1.354 . . . . 0.0 108.661 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.427 ' HE ' ' HB2' ' A' ' 9' ' ' ARG . 38.0 mtm180 67.06 17.48 10.45 Favored 'General case' 0 N--CA 1.498 1.962 0 C-N-CA 124.21 1.004 . . . . 0.0 110.501 179.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.08 -12.53 62.16 Favored Glycine 0 N--CA 1.437 -1.293 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -176.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -85.81 111.61 20.33 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 57.5 m -91.24 129.53 37.22 Favored 'General case' 0 C--N 1.281 -2.373 0 C-N-CA 118.537 -1.265 . . . . 0.0 111.414 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -123.6 132.27 53.83 Favored 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 114.069 -1.423 . . . . 0.0 109.645 -175.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.3 m -94.5 110.89 22.65 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-O 122.07 0.938 . . . . 0.0 111.028 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.441 HD12 HD12 ' A' ' 6' ' ' LEU . 58.8 mt -102.07 124.92 56.26 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.445 -176.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 52.2 m -103.06 132.93 48.96 Favored 'General case' 0 C--N 1.286 -2.172 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.32 -176.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 m -136.89 126.09 24.67 Favored 'General case' 0 N--CA 1.426 -1.661 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 . . . . . 0 N--CA 1.477 0.883 0 C-N-CA 124.569 1.148 . . . . 0.0 112.822 179.062 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.889 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -119.12 128.84 54.66 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 67.6 m -91.94 136.6 33.04 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.725 0.774 . . . . 0.0 112.615 -174.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -131.93 137.45 47.96 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 114.391 -1.277 . . . . 0.0 108.089 -173.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 63.2 m -108.1 128.92 55.11 Favored 'General case' 0 C--N 1.286 -2.168 0 C-N-CA 118.892 -1.123 . . . . 0.0 111.353 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.9 mp -112.29 141.03 46.5 Favored 'General case' 0 C--N 1.286 -2.152 0 CA-C-N 114.485 -1.234 . . . . 0.0 107.812 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 80.9 m -115.09 132.16 56.69 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.205 -0.998 . . . . 0.0 111.426 -177.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 8' ' ' ARG . 29.4 mmt180 -128.74 115.67 18.33 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 65.04 19.71 11.9 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.828 0.851 . . . . 0.0 111.798 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.6 -9.06 68.94 Favored Glycine 0 C--N 1.308 -1.019 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.186 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -98.76 128.09 44.89 Favored 'General case' 0 CA--C 1.493 -1.24 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 176.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 58.3 m -103.01 139.29 38.77 Favored 'General case' 0 C--N 1.283 -2.283 0 C-N-CA 118.851 -1.14 . . . . 0.0 112.238 -175.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -123.2 131.15 53.57 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 114.608 -1.178 . . . . 0.0 108.296 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.1 m -105.13 120.93 42.74 Favored 'General case' 0 C--N 1.287 -2.139 0 C-N-CA 119.963 -0.695 . . . . 0.0 110.828 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.2 pt -108.78 167.44 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.277 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 59.3 m -128.87 125.74 38.29 Favored 'General case' 0 C--N 1.282 -2.343 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.649 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 m -123.33 127.12 48.07 Favored 'General case' 0 N--CA 1.426 -1.671 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 . . . . . 0 N--CA 1.478 0.967 0 C-N-CA 124.579 1.152 . . . . 0.0 112.888 178.845 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.667 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -119.05 139.8 51.12 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -176.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 38.9 m -94.94 134.1 37.97 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -173.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 70.9 mtm180 -138.36 172.58 12.68 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -175.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 29.5 m -113.2 129.84 56.4 Favored 'General case' 0 N--CA 1.415 -2.192 0 C-N-CA 118.66 -1.216 . . . . 0.0 112.093 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.4 mt -120.67 162.08 20.3 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 114.465 -1.243 . . . . 0.0 107.962 -174.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 41.2 m -115.82 134.4 55.05 Favored 'General case' 0 C--N 1.284 -2.267 0 C-N-CA 119.209 -0.996 . . . . 0.0 110.493 178.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -114.91 100.71 8.41 Favored 'General case' 0 N--CA 1.422 -1.855 0 CA-C-N 115.041 -0.981 . . . . 0.0 108.446 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 61.55 16.55 7.73 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.416 1.086 . . . . 0.0 112.985 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.15 -24.66 7.72 Favored Glycine 0 C--N 1.311 -0.823 0 C-N-CA 121.236 -0.506 . . . . 0.0 112.497 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -86.6 113.74 22.75 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 177.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 56.9 m -90.06 127.49 36.08 Favored 'General case' 0 C--N 1.294 -1.828 0 C-N-CA 119.692 -0.803 . . . . 0.0 110.856 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 -147.85 147.81 30.2 Favored 'General case' 0 C--N 1.284 -2.279 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.118 -172.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 23.4 m -90.64 129.8 36.72 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -172.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.6 mm -132.92 150.18 32.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 -174.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 34.3 m -97.14 141.14 30.63 Favored 'General case' 0 C--N 1.294 -1.832 0 C-N-CA 119.322 -0.951 . . . . 0.0 111.801 -177.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 m -137.13 128.65 28.45 Favored 'General case' 0 N--CA 1.431 -1.377 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -176.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 . . . . . 0 C--N 1.318 -0.788 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 177.092 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.066 0 CA-C-O 120.474 -0.07 . . . . 0.0 113.18 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -116.6 124.97 51.12 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 84.1 m -104.74 135.18 46.6 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.174 0.511 . . . . 0.0 111.03 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.9 mtm-85 -139.32 134.47 32.58 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.392 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 74.5 m -99.3 121.49 41.16 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-O 122.133 0.968 . . . . 0.0 109.328 173.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.4 tp -106.77 111.56 24.13 Favored 'General case' 0 C--N 1.259 -3.339 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.747 -176.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 80.6 m -94.42 118.66 31.97 Favored 'General case' 0 N--CA 1.422 -1.832 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.09 174.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -116.27 105.46 12.58 Favored 'General case' 0 N--CA 1.42 -1.956 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.682 -176.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 61.65 27.82 17.14 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 121.705 0.764 . . . . 0.0 112.423 178.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.16 -21.18 40.63 Favored Glycine 0 C--N 1.287 -2.19 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.133 178.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -89.78 119.63 30.34 Favored 'General case' 0 CA--C 1.495 -1.148 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 58.9 m -96.31 129.46 43.64 Favored 'General case' 0 N--CA 1.419 -2.008 0 CA-C-O 122.351 1.072 . . . . 0.0 112.617 -176.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -117.18 118.48 32.43 Favored 'General case' 0 C--N 1.271 -2.829 0 CA-C-N 113.282 -1.781 . . . . 0.0 108.003 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 90.8 m -99.39 123.91 44.06 Favored 'General case' 0 C--N 1.277 -2.582 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.159 175.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.6 tt -137.45 145.19 29.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.154 -176.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 82.1 m -112.82 143.67 43.67 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.2 m -148.94 124.27 10.24 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 120.9 0.381 . . . . 0.0 109.982 177.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--N 1.312 -1.051 0 C-N-CA 125.592 1.557 . . . . 0.0 114.003 174.48 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.197 0 N-CA-C 111.887 -0.485 . . . . 0.0 111.887 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -108.35 138.78 44.06 Favored 'General case' 0 CA--C 1.5 -0.962 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -177.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 69.8 m -101.41 133.54 45.88 Favored 'General case' 0 C--N 1.288 -2.087 0 CA-C-O 121.44 0.638 . . . . 0.0 111.246 -178.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -116.19 151.39 35.81 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 84.8 m -117.32 136.74 52.91 Favored 'General case' 0 C--N 1.286 -2.183 0 C-N-CA 119.273 -0.971 . . . . 0.0 111.558 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.7 tp -123.81 145.93 48.71 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.314 -174.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 70.8 m -132.16 125.78 32.03 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 177.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -136.44 122.77 20.6 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 120.92 0.391 . . . . 0.0 110.872 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 64.5 19.74 11.91 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.591 1.157 . . . . 0.0 112.3 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.28 -15.59 56.14 Favored Glycine 0 N--CA 1.436 -1.323 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -86.75 109.95 19.58 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 120.764 0.316 . . . . 0.0 110.384 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 79.6 m -95.05 132.86 39.48 Favored 'General case' 0 CA--C 1.479 -1.764 0 CA-C-O 121.938 0.875 . . . . 0.0 110.776 177.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -144.98 138.02 26.51 Favored 'General case' 0 C--N 1.269 -2.904 0 CA-C-N 114.128 -1.396 . . . . 0.0 109.606 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 64.2 m -98.81 142.89 29.77 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.628 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.8 tt -124.82 135.46 63.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 34.4 m -108.92 138.28 45.51 Favored 'General case' 0 C--N 1.291 -1.949 0 C-N-CA 119.785 -0.766 . . . . 0.0 111.136 -178.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 m -149.03 136.47 20.23 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 . . . . . 0 N--CA 1.476 0.871 0 C-N-CA 125.204 1.402 . . . . 0.0 112.249 -179.522 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.025 0 CA-C-O 120.416 -0.102 . . . . 0.0 113.03 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -102.54 123.47 46.34 Favored 'General case' 0 CA--C 1.495 -1.145 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 88.3 m -101.54 117.79 35.64 Favored 'General case' 0 CA--C 1.478 -1.813 0 C-N-CA 119.233 -0.987 . . . . 0.0 110.895 176.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -114.97 104.11 11.58 Favored 'General case' 0 C--N 1.26 -3.303 0 CA-C-N 113.574 -1.648 . . . . 0.0 106.885 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 57.4 m -93.03 134.11 35.5 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.344 0.593 . . . . 0.0 112.574 -175.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.9 mt -125.16 140.17 53.11 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.429 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 57.1 m -117.08 145.72 43.57 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.774 -0.77 . . . . 0.0 111.651 -176.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -134.36 109.13 8.59 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 61.93 22.2 12.87 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.707 0.803 . . . . 0.0 112.961 175.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.69 -26.27 13.23 Favored Glycine 0 C--N 1.287 -2.181 0 C-N-CA 120.222 -0.99 . . . . 0.0 112.756 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -90.48 132.02 35.9 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 119.786 -0.766 . . . . 0.0 108.953 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.3 m -108.43 136.27 48.33 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.85 0.833 . . . . 0.0 112.621 -176.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -117.55 136.42 53.28 Favored 'General case' 0 C--N 1.286 -2.169 0 CA-C-N 114.111 -1.404 . . . . 0.0 107.437 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 93.1 m -105.41 130.92 53.4 Favored 'General case' 0 C--N 1.275 -2.668 0 C-N-CA 119.232 -0.987 . . . . 0.0 111.16 178.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.6 mm -101.15 94.76 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.194 0 N-CA-C 105.246 -2.131 . . . . 0.0 105.246 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.6 m -96.95 113.54 25.09 Favored 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.038 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 t -126.85 118.14 24.01 Favored 'General case' 0 N--CA 1.401 -2.89 0 CA-C-O 121.923 0.868 . . . . 0.0 112.273 -176.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 . . . . . 0 C--N 1.318 -0.796 0 CA-C-N 113.249 -1.796 . . . . 0.0 113.201 175.384 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.869 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -90.21 114.07 25.99 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 38.3 m -94.32 117.48 30.18 Favored 'General case' 0 N--CA 1.423 -1.808 0 CA-C-O 122.46 1.124 . . . . 0.0 111.626 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -108.71 137.56 46.44 Favored 'General case' 0 C--N 1.28 -2.424 0 CA-C-N 113.348 -1.751 . . . . 0.0 109.063 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 65.4 m -103.31 140.1 37.86 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 119.764 -0.774 . . . . 0.0 112.866 -174.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.5 mt -123.5 159.49 28.97 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 -178.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 59.1 m -131.64 135.14 46.69 Favored 'General case' 0 C--N 1.291 -1.959 0 C-N-CA 119.327 -0.949 . . . . 0.0 110.34 177.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -136.23 123.22 21.47 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 176.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 67.01 19.79 10.51 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.594 0.758 . . . . 0.0 110.993 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.65 -5.89 84.18 Favored Glycine 0 C--N 1.307 -1.081 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -95.56 111.31 23.25 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 60.8 m -91.34 130.33 37.21 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 121.814 0.816 . . . . 0.0 112.231 -177.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -131.69 147.23 52.49 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-N 113.92 -1.491 . . . . 0.0 108.254 -176.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 35.8 m -113.48 142.35 46.02 Favored 'General case' 0 C--N 1.293 -1.887 0 C-N-CA 118.811 -1.155 . . . . 0.0 111.867 -174.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.0 tt -118.06 131.35 71.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.047 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 61.3 m -98.46 134.71 41.07 Favored 'General case' 0 C--N 1.286 -2.158 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.851 -178.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.3 m -140.58 123.34 16.29 Favored 'General case' 0 N--CA 1.433 -1.31 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 . . . . . 0 C--N 1.316 -0.865 0 C-N-CA 123.852 0.861 . . . . 0.0 112.44 -177.436 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.572 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -107.37 117.5 34.26 Favored 'General case' 0 CA--C 1.49 -1.338 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 80.8 m -91.87 121.32 33.37 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 122.165 0.983 . . . . 0.0 110.297 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -122.34 130.15 52.85 Favored 'General case' 0 C--N 1.267 -3.008 0 CA-C-N 113.978 -1.465 . . . . 0.0 109.378 -174.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 86.3 m -99.58 135.06 41.56 Favored 'General case' 0 C--N 1.29 -2.017 0 C-N-CA 119.424 -0.911 . . . . 0.0 110.236 177.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.2 tp -130.3 136.54 49.25 Favored 'General case' 0 C--N 1.285 -2.202 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.461 -177.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 63.4 m -103.78 126.54 50.98 Favored 'General case' 0 C--N 1.286 -2.179 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.994 178.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -144.5 136.4 25.98 Favored 'General case' 0 N--CA 1.432 -1.329 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -176.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 65.24 18.48 11.41 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.264 1.025 . . . . 0.0 110.399 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.68 -14.81 64.04 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.551 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -103.21 145.53 29.8 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -176.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 56.4 m -104.68 127.38 52.42 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 118.602 -1.239 . . . . 0.0 111.989 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -113.65 143.01 45.29 Favored 'General case' 0 C--N 1.279 -2.482 0 CA-C-N 113.818 -1.537 . . . . 0.0 108.389 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 84.1 m -113.71 124.42 52.25 Favored 'General case' 0 C--N 1.282 -2.33 0 C-N-CA 119.48 -0.888 . . . . 0.0 109.851 175.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.2 tt -117.05 128.05 74.52 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.94 -177.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 86.4 m -99.31 120.99 40.46 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 120.461 -0.495 . . . . 0.0 109.736 177.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.1 m -132.17 123.08 26.35 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -177.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 . . . . . 0 C--N 1.315 -0.899 0 C-N-CA 124.755 1.222 . . . . 0.0 112.801 178.782 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.793 0 N-CA-C 112.319 -0.312 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -102.71 128.06 49.58 Favored 'General case' 0 CA--C 1.492 -1.278 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 61.2 m -97.94 126.33 43.29 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-O 121.783 0.802 . . . . 0.0 111.075 -178.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -110.53 128.5 55.67 Favored 'General case' 0 C--N 1.28 -2.429 0 CA-C-N 114.154 -1.385 . . . . 0.0 107.302 -177.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 70.1 m -101.88 128.87 48.07 Favored 'General case' 0 C--N 1.283 -2.287 0 C-N-CA 119.3 -0.96 . . . . 0.0 112.062 -178.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.6 tp -110.42 116.86 32.17 Favored 'General case' 0 C--N 1.273 -2.728 0 CA-C-N 113.91 -1.495 . . . . 0.0 108.186 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.4 m -114.79 123.14 48.45 Favored 'General case' 0 C--N 1.282 -2.344 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.28 178.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -130.78 113.19 13.8 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 120.922 0.391 . . . . 0.0 110.887 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 60.85 24.94 14.88 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.182 1.393 . . . . 0.0 112.534 174.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.38 -26.02 9.4 Favored Glycine 0 N--CA 1.423 -2.197 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.363 178.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -85.04 107.25 17.06 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.787 0.293 . . . . 0.0 111.009 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 92.9 m -94.61 127.1 40.33 Favored 'General case' 0 CA--C 1.473 -2.018 0 CA-C-O 121.99 0.9 . . . . 0.0 110.754 175.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -128.81 119.95 25.43 Favored 'General case' 0 C--N 1.261 -3.267 0 CA-C-N 113.62 -1.627 . . . . 0.0 109.157 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.3 m -100.4 116.14 31.67 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 121.516 0.674 . . . . 0.0 110.87 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.2 mt -107.64 139.86 28.04 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 -178.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 42.7 m -110.19 137.45 47.91 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.808 -176.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.1 m -144.96 132.3 20.66 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 . . . . . 0 N--CA 1.477 0.911 0 C-N-CA 124.16 0.984 . . . . 0.0 111.524 -177.837 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.235 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -104.88 127.37 52.67 Favored 'General case' 0 CA--C 1.486 -1.505 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -178.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 86.2 m -102.14 122.73 44.71 Favored 'General case' 0 C--N 1.285 -2.228 0 C-N-CA 119.596 -0.842 . . . . 0.0 109.681 175.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -113.22 124.26 52.11 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-N 113.97 -1.468 . . . . 0.0 108.48 -174.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.4 m -104.19 130.31 51.95 Favored 'General case' 0 C--N 1.3 -1.548 0 C-N-CA 119.636 -0.826 . . . . 0.0 112.427 -177.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -119.66 133.31 55.69 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.011 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 75.0 m -107.21 128.2 54.2 Favored 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 119.773 -0.771 . . . . 0.0 109.46 176.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.7 mtm-85 -125.29 105.1 8.86 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.739 -178.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 55.32 28.95 12.09 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 174.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.32 -28.73 6.18 Favored Glycine 0 C--N 1.281 -2.481 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.122 177.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -96.4 124.85 40.53 Favored 'General case' 0 N--CA 1.421 -1.916 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.079 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 85.6 m -102.24 127.4 49.21 Favored 'General case' 0 CA--C 1.472 -2.04 0 CA-C-O 121.775 0.798 . . . . 0.0 109.919 177.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -132.87 146.78 52.11 Favored 'General case' 0 C--N 1.266 -3.032 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.721 -176.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 63.5 m -115.58 132.52 56.6 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-O 121.292 0.568 . . . . 0.0 111.336 -178.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tp -112.52 132.98 59.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 177.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.2 m -104.7 134.61 47.57 Favored 'General case' 0 C--N 1.288 -2.084 0 C-N-CA 120.004 -0.679 . . . . 0.0 110.202 179.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 m -130.25 112.61 13.5 Favored 'General case' 0 N--CA 1.426 -1.651 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 . . . . . 0 N--CA 1.483 1.191 0 C-N-CA 127.655 2.382 . . . . 0.0 112.466 177.155 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.648 0 N-CA-C 112.598 -0.201 . . . . 0.0 112.598 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -108.04 126.24 52.5 Favored 'General case' 0 CA--C 1.483 -1.629 0 CA-C-O 121.014 0.435 . . . . 0.0 110.165 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 56.6 m -87.65 129.55 35.09 Favored 'General case' 0 N--CA 1.417 -2.095 0 CA-C-O 121.852 0.834 . . . . 0.0 110.931 -178.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -130.62 139.73 50.4 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-N 114.132 -1.394 . . . . 0.0 108.862 -174.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 39.6 m -103.55 126.47 50.72 Favored 'General case' 0 C--N 1.291 -1.97 0 CA-C-O 122.029 0.919 . . . . 0.0 113.047 -173.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -123.46 139.1 54.37 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 114.001 -1.454 . . . . 0.0 108.772 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.2 m -122.87 139.18 54.3 Favored 'General case' 0 C--N 1.293 -1.891 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.927 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -131.86 129.6 40.6 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 176.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 65.76 12.16 8.11 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.578 0.751 . . . . 0.0 112.454 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.78 -13.67 62.22 Favored Glycine 0 C--N 1.313 -0.7 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -175.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -87.16 114.8 24.08 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 123.239 0.616 . . . . 0.0 109.648 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.7 m -96.07 143.6 27.07 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -177.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -140.64 132.12 26.93 Favored 'General case' 0 C--N 1.287 -2.129 0 CA-C-N 114.071 -1.422 . . . . 0.0 109.267 176.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.7 m -98.62 110.44 23.03 Favored 'General case' 0 C--N 1.289 -2.065 0 C-N-CA 119.386 -0.926 . . . . 0.0 109.626 175.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.9 tp -102.43 137.13 31.54 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 36.1 m -97.8 134.03 41.51 Favored 'General case' 0 N--CA 1.41 -2.449 0 C-N-CA 120.016 -0.674 . . . . 0.0 110.145 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.4 m -141.92 131.38 23.78 Favored 'General case' 0 N--CA 1.428 -1.562 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -178.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 . . . . . 0 C--N 1.315 -0.903 0 C-N-CA 124.718 1.207 . . . . 0.0 112.699 -178.15 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.31 0 N-CA-C 111.947 -0.461 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -102.95 138.66 39.53 Favored 'General case' 0 C--O 1.247 0.935 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 85.6 m -108.25 148.51 29.88 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -175.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -137.48 132.59 33.53 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 177.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 72.1 m -95.36 141.85 28.44 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.547 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 pp -150.67 162.02 41.49 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.089 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 76.9 m -126.32 136.79 53.18 Favored 'General case' 0 C--N 1.283 -2.294 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 176.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -147.06 135.54 21.87 Favored 'General case' 0 N--CA 1.421 -1.876 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 65.78 14.26 9.44 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.442 1.097 . . . . 0.0 113.269 177.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.98 3.93 57.87 Favored Glycine 0 C--N 1.303 -1.284 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -122.28 137.56 54.8 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 78.2 m -105.38 143.44 33.55 Favored 'General case' 0 CA--C 1.49 -1.343 0 CA-C-O 121.239 0.542 . . . . 0.0 111.732 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -155.5 152.08 28.46 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.264 177.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 79.2 m -108.06 118.26 36.3 Favored 'General case' 0 C--N 1.289 -2.04 0 C-N-CA 119.786 -0.765 . . . . 0.0 109.401 177.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.4 tt -103.48 144.43 14.03 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -175.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 56.1 m -117.1 154.71 30.53 Favored 'General case' 0 C--N 1.284 -2.258 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.175 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -143.28 128.01 18.2 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 . . . . . 0 N--CA 1.482 1.133 0 C-N-CA 126.486 1.914 . . . . 0.0 113.483 -176.479 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.172 0 N-CA-C 113.355 0.102 . . . . 0.0 113.355 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -137.89 144.67 41.45 Favored 'General case' 0 C--N 1.309 -1.195 0 O-C-N 121.892 -0.769 . . . . 0.0 109.621 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 56.3 m -93.82 117.25 29.85 Favored 'General case' 0 N--CA 1.428 -1.543 0 C-N-CA 118.649 -1.22 . . . . 0.0 110.428 178.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -108.61 145.69 34.52 Favored 'General case' 0 C--N 1.273 -2.734 0 CA-C-N 113.265 -1.789 . . . . 0.0 108.308 -171.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.464 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 63.1 m -109.12 128.34 54.92 Favored 'General case' 0 N--CA 1.411 -2.399 0 C-N-CA 118.42 -1.312 . . . . 0.0 111.604 178.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.3 tp -112.02 117.13 31.83 Favored 'General case' 0 C--N 1.282 -2.354 0 CA-C-N 114.0 -1.454 . . . . 0.0 108.076 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 34.1 m -107.64 131.06 54.79 Favored 'General case' 0 C--N 1.288 -2.09 0 C-N-CA 119.472 -0.891 . . . . 0.0 108.761 178.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -142.84 134.4 26.46 Favored 'General case' 0 N--CA 1.419 -1.977 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 72.48 -4.5 2.04 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.931 1.292 . . . . 0.0 111.72 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.89 -14.95 19.3 Favored Glycine 0 N--CA 1.43 -1.72 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -175.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -96.05 124.86 40.23 Favored 'General case' 0 C--O 1.246 0.919 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -177.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 79.5 m -94.39 131.6 39.89 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-O 121.911 0.863 . . . . 0.0 112.176 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -126.26 121.91 34.02 Favored 'General case' 0 C--N 1.274 -2.692 0 CA-C-N 113.945 -1.479 . . . . 0.0 108.327 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.464 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.5 m -96.29 126.14 41.29 Favored 'General case' 0 C--N 1.293 -1.875 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.224 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.8 mm -116.35 141.8 32.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 -176.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 78.5 m -96.95 115.69 27.87 Favored 'General case' 0 C--N 1.294 -1.831 0 C-N-CA 119.276 -0.97 . . . . 0.0 108.988 176.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.487 HG22 ' HG3' ' A' ' 18' ' ' ARG . 6.1 m -131.35 128.19 39.17 Favored 'General case' 0 N--CA 1.421 -1.889 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.744 -171.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.487 ' HG3' HG22 ' A' ' 17' ' ' THR . 82.9 mtp180 . . . . . 0 C--N 1.314 -0.964 0 C-N-CA 126.008 1.723 . . . . 0.0 115.375 174.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.74 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -129.24 136.51 50.19 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 83.0 m -100.24 132.72 45.45 Favored 'General case' 0 C--N 1.289 -2.028 0 C-N-CA 119.407 -0.917 . . . . 0.0 111.92 -178.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -123.31 115.24 21.36 Favored 'General case' 0 C--N 1.28 -2.447 0 CA-C-N 114.682 -1.144 . . . . 0.0 108.662 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.0 m -93.26 131.95 37.91 Favored 'General case' 0 C--N 1.284 -2.268 0 CA-C-O 121.577 0.703 . . . . 0.0 110.484 179.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.8 tp -124.53 134.15 53.09 Favored 'General case' 0 C--N 1.277 -2.576 0 CA-C-N 114.618 -1.173 . . . . 0.0 108.719 -177.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.5 m -108.37 135.81 49.04 Favored 'General case' 0 C--N 1.296 -1.734 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.251 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -141.87 125.04 16.35 Favored 'General case' 0 N--CA 1.428 -1.556 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.537 -175.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 65.55 18.54 11.29 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.636 1.175 . . . . 0.0 111.735 177.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.29 -3.06 66.06 Favored Glycine 0 C--N 1.308 -1.015 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.468 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -108.7 137.47 46.58 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 82.8 m -104.48 136.0 44.86 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 119.224 -0.99 . . . . 0.0 112.264 -178.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -122.99 121.77 36.91 Favored 'General case' 0 C--N 1.285 -2.233 0 CA-C-N 114.106 -1.406 . . . . 0.0 109.584 -177.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 88.1 m -94.96 125.57 39.72 Favored 'General case' 0 C--N 1.284 -2.268 0 C-N-CA 119.601 -0.839 . . . . 0.0 111.101 176.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.3 mt -115.23 123.7 71.09 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.065 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 63.8 m -107.51 123.85 49.04 Favored 'General case' 0 C--N 1.288 -2.089 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.418 178.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.0 t -143.56 146.42 33.32 Favored 'General case' 0 N--CA 1.419 -2.004 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 . . . . . 0 CA--C 1.545 0.769 0 C-N-CA 124.864 1.265 . . . . 0.0 112.378 178.098 . . . . . . . . 0 0 . 1 stop_ save_