data_6pio_residue ############################ # Computer software used # ############################ 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 6pio _Structure_validation_residue.Date_analyzed 2019-09-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.6 t90 . . . . . 0 N--CA 1.445 -0.713 0 CA-C-O 121.115 0.484 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 71.9 m -109.87 125.3 52.64 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 115.222 -0.899 . . . . 0.0 108.957 177.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -131.84 145.12 51.37 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.771 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -97.33 118.28 33.45 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.764 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.9 t -101.56 123.18 54.52 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 N-CA-C 107.869 -1.159 . . . . 0.0 107.869 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 82.3 m -114.34 127.57 55.92 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -140.22 125.33 18.61 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 59.74 22.27 11.09 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-O 121.846 0.831 . . . . 0.0 111.308 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.14 -9.87 54.66 Favored Glycine 0 N--CA 1.441 -0.994 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.803 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 45.1 mm -97.93 115.48 38.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 116.94 0.37 . . . . 0.0 110.673 -179.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.6 m -106.94 131.57 53.87 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.193 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -140.08 147.53 40.42 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -101.91 128.41 48.33 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 120.622 0.248 . . . . 0.0 110.694 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 73.3 mmtt -111.11 149.04 31.4 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.2 m . . . . . 0 C--N 1.306 -1.304 0 CA-C-O 121.063 0.459 . . . . 0.0 110.527 179.172 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 . . . . . 0 N--CA 1.437 -1.096 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.9 m -109.94 131.48 55.02 Favored 'General case' 0 C--N 1.288 -2.086 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.013 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -120.73 144.45 48.25 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.554 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -102.16 123.3 45.77 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.872 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.7 t -109.78 130.68 62.48 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 73.5 m -123.74 131.84 53.68 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-O 120.774 0.321 . . . . 0.0 111.071 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -151.94 131.22 12.81 Favored 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 64.52 16.15 10.07 Favored 'General case' 0 CA--C 1.564 1.487 0 CA-C-O 121.913 0.863 . . . . 0.0 111.091 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.88 1.47 70.44 Favored Glycine 0 C--N 1.311 -0.85 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.345 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 50.5 mm -99.05 114.99 38.53 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 91.9 m -111.22 122.08 46.94 Favored 'General case' 0 C--N 1.284 -2.281 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.028 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -128.21 144.95 51.16 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -108.7 127.79 54.29 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -110.63 134.19 52.65 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.6 m . . . . . 0 C--N 1.287 -2.147 0 CA-C-O 121.414 0.626 . . . . 0.0 111.644 -178.703 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 79.4 m -113.44 132.17 55.74 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -128.36 130.22 47.41 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-O 121.345 0.593 . . . . 0.0 111.193 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -87.86 122.56 31.65 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.92 -1.037 . . . . 0.0 109.557 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -115.63 131.51 67.8 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.499 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 84.7 m -124.59 124.96 43.37 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -132.98 120.99 22.13 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 56.94 25.11 10.19 Favored 'General case' 0 CA--C 1.561 1.372 0 C-N-CA 124.296 1.038 . . . . 0.0 111.17 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.57 -14.99 50.05 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.934 -0.651 . . . . 0.0 113.133 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.499 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 50.6 mm -88.25 107.78 17.94 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 O-C-N 122.303 -0.528 . . . . 0.0 110.273 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 89.4 m -102.3 127.2 49.38 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.385 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -132.89 156.53 47.05 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.495 176.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -111.89 122.19 47.09 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -177.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 30.0 mmtp -108.48 124.57 50.64 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 175.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.5 m . . . . . 0 C--N 1.294 -1.842 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.325 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.3 t-105 . . . . . 0 N--CA 1.435 -1.201 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.9 m -111.94 126.55 55.25 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.59 -178.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -125.71 160.54 29.47 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.222 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -105.13 131.34 52.74 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.382 -176.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.3 t -120.59 132.98 68.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 175.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 72.9 m -125.55 138.05 53.95 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 120.456 0.17 . . . . 0.0 111.014 -177.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -146.6 125.61 12.83 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 173.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? 64.41 10.83 6.03 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 123.907 0.883 . . . . 0.0 112.057 178.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.54 -11.03 30.56 Favored Glycine 0 N--CA 1.437 -1.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.846 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.49 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 41.8 mm -90.68 113.53 26.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-O 120.898 0.38 . . . . 0.0 110.045 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.2 m -107.92 122.77 47.49 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.92 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -120.92 158.04 28.55 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.362 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -103.36 117.83 35.38 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -174.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -103.91 119.63 39.33 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.7 m . . . . . 0 C--N 1.294 -1.846 0 CA-C-O 121.258 0.551 . . . . 0.0 111.254 -179.129 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 21.4 t-105 . . . . . 0 N--CA 1.433 -1.316 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 79.3 m -109.39 132.66 53.92 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -140.12 144.69 36.87 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -177.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -101.79 116.69 33.27 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.033 -176.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.7 t -97.96 128.85 48.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 77.8 m -122.06 114.78 21.4 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-O 120.953 0.406 . . . . 0.0 110.394 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -118.02 116.93 27.88 Favored 'General case' 0 N--CA 1.423 -1.775 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 63.29 21.18 12.69 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.541 0.736 . . . . 0.0 111.079 176.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.63 -10.98 53.53 Favored Glycine 0 N--CA 1.432 -1.619 0 CA-C-N 115.333 -0.848 . . . . 0.0 112.396 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.4 mm -89.06 105.06 15.52 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 CA-C-O 121.367 0.604 . . . . 0.0 109.721 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 93.3 m -98.65 128.22 44.86 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 114.717 -1.128 . . . . 0.0 110.787 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -137.57 145.17 42.53 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 174.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -107.64 128.25 54.38 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-O 121.084 0.469 . . . . 0.0 111.308 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 73.2 mmtt -104.18 146.61 28.52 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.1 m . . . . . 0 C--N 1.302 -1.487 0 CA-C-O 121.006 0.431 . . . . 0.0 110.416 178.902 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 22.5 t90 . . . . . 0 N--CA 1.437 -1.099 0 CA-C-O 121.049 0.452 . . . . 0.0 111.854 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.6 m -109.91 119.77 40.39 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.252 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -129.49 156.5 44.02 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -109.04 121.86 46.04 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 59.3 t -104.73 132.69 50.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 177.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 72.4 m -119.8 117.05 27.16 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 120.795 0.331 . . . . 0.0 110.136 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -135.44 127.67 30.09 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 64.66 13.93 8.68 Favored 'General case' 0 CA--C 1.565 1.555 0 CA-C-O 121.918 0.866 . . . . 0.0 111.461 174.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.4 -1.14 53.62 Favored Glycine 0 N--CA 1.44 -1.085 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.115 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 48.6 mm -101.81 111.15 30.57 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.296 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 98.0 m -105.27 119.62 39.51 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.614 178.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -124.53 143.41 50.69 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.513 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -91.12 116.75 29.05 Favored 'General case' 0 N--CA 1.427 -1.61 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -111.32 120.9 43.78 Favored 'General case' 0 C--N 1.273 -2.755 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.314 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.9 m . . . . . 0 C--N 1.297 -1.711 0 CA-C-O 120.956 0.408 . . . . 0.0 111.051 179.63 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.4 t-105 . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.7 m -109.68 119.96 41.0 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.644 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -111.72 149.15 32.04 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.285 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -100.36 108.74 20.84 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.541 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 48.8 t -92.02 123.77 44.26 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.499 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 82.6 m -118.96 121.27 39.54 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -138.85 128.8 25.16 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 62.76 21.86 13.02 Favored 'General case' 0 CA--C 1.563 1.465 0 CA-C-O 122.719 1.247 . . . . 0.0 109.818 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.68 -13.24 66.68 Favored Glycine 0 N--CA 1.439 -1.15 0 CA-C-N 114.599 -1.182 . . . . 0.0 112.461 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.499 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 51.1 mm -88.58 116.79 30.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 120.779 0.323 . . . . 0.0 110.355 -176.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 74.6 m -106.85 134.59 49.77 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.244 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -140.98 164.98 28.81 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -116.0 114.44 24.6 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 120.52 0.2 . . . . 0.0 111.212 -174.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -111.04 147.29 35.1 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.7 m . . . . . 0 C--N 1.302 -1.492 0 CA-C-O 120.867 0.365 . . . . 0.0 110.908 -179.122 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 22.4 t90 . . . . . 0 N--CA 1.439 -1.0 0 CA-C-O 121.187 0.517 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.2 m -116.7 129.17 55.97 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.574 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -133.06 139.54 47.23 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -101.23 112.94 25.58 Favored 'General case' 0 C--N 1.308 -1.228 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.244 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.7 t -100.31 128.6 52.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 79.1 m -117.24 116.53 27.43 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -132.13 122.67 25.72 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 63.59 23.8 13.73 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.995 0.518 . . . . 0.0 110.174 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.15 -12.8 68.56 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.345 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 43.3 mm -81.86 103.8 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.4 m -100.62 119.36 38.44 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.976 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -132.96 143.34 49.4 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -99.34 113.1 25.23 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-O 121.41 0.624 . . . . 0.0 109.375 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -99.28 133.24 43.86 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 -177.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 C--N 1.298 -1.673 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.304 -178.263 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.9 t90 . . . . . 0 N--CA 1.431 -1.399 0 CA-C-O 120.946 0.403 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.6 m -109.86 121.59 45.59 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.442 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -128.55 140.52 51.75 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.224 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -103.11 117.59 34.89 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 50.7 t -105.73 131.01 56.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 68.2 m -119.53 127.47 53.04 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -139.0 128.8 24.84 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 61.25 18.0 8.76 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.903 0.881 . . . . 0.0 111.431 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.69 -6.82 60.86 Favored Glycine 0 N--CA 1.432 -1.604 0 C-N-CA 121.302 -0.475 . . . . 0.0 112.19 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 51.8 mm -93.04 113.1 27.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.015 0.436 . . . . 0.0 109.931 -179.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 98.6 m -105.11 122.28 45.57 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.197 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -127.56 138.53 52.91 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -94.08 126.77 39.5 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -110.48 111.3 22.46 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.2 m . . . . . 0 C--N 1.285 -2.202 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 175.092 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 . . . . . 0 CA--C 1.536 0.429 0 CA-C-O 121.147 0.498 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.9 m -109.7 134.93 51.42 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.003 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -139.97 141.99 36.36 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.912 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -80.03 120.83 24.73 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.651 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.4 t -107.94 113.28 43.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.493 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 64.9 m -112.76 128.06 56.32 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.734 177.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -144.14 135.48 25.65 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 175.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 64.92 13.32 8.5 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.587 0.755 . . . . 0.0 110.622 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.13 -9.85 63.5 Favored Glycine 0 N--CA 1.438 -1.195 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.911 -176.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 46.8 mm -91.91 124.08 44.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -177.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.0 m -112.16 123.02 49.36 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.934 -177.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -133.06 149.61 52.16 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -100.69 128.26 46.8 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-O 120.569 0.223 . . . . 0.0 110.849 -177.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -110.17 133.09 53.58 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 94.2 m . . . . . 0 C--N 1.292 -1.893 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.207 -178.779 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 16.1 t-105 . . . . . 0 N--CA 1.437 -1.1 0 CA-C-O 120.924 0.392 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.8 m -109.55 119.55 39.75 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 174.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 15' ' ' LYS . 33.9 p90 -123.16 137.49 54.89 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.652 -176.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -97.25 131.91 43.51 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.874 178.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.9 t -125.36 127.58 72.03 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 71.4 m -117.72 119.92 36.4 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -145.38 136.84 25.15 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 63.97 18.09 10.99 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 121.784 0.802 . . . . 0.0 110.722 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.16 13.72 63.55 Favored Glycine 0 N--CA 1.438 -1.204 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.959 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.501 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 48.6 mm -113.93 119.28 60.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.2 m -109.85 126.11 53.48 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.132 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -143.03 161.29 38.53 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 45.7 ttm180 -129.19 128.36 43.21 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 4' ' ' PHE . 13.8 mmmm -110.14 136.56 49.18 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.4 m . . . . . 0 C--N 1.286 -2.154 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 174.639 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.412 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 17.3 t-105 . . . . . 0 N--CA 1.44 -0.938 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.4 m -120.95 119.43 32.56 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.183 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -121.55 140.62 51.98 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -100.53 126.82 47.01 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.49 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -114.96 122.9 70.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 177.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.545 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 78.6 m -114.1 118.08 33.04 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 177.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -134.97 127.53 30.71 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? 60.75 19.82 9.91 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.321 0.582 . . . . 0.0 111.212 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.14 -11.16 60.28 Favored Glycine 0 N--CA 1.444 -0.829 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.459 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.545 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 47.7 mm -90.41 116.9 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.949 0 O-C-N 122.543 -0.386 . . . . 0.0 110.123 -178.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 97.3 m -109.61 111.6 23.19 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.687 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -120.24 158.83 26.18 Favored 'General case' 0 C--N 1.279 -2.467 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -127.18 122.67 34.74 Favored 'General case' 0 C--N 1.286 -2.157 0 C-N-CA 120.596 -0.442 . . . . 0.0 109.872 -176.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -97.87 125.22 42.64 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 2' ' ' TRP . 89.8 m . . . . . 0 C--N 1.295 -1.793 0 CA-C-O 121.431 0.634 . . . . 0.0 112.187 -178.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 23.4 t90 . . . . . 0 N--CA 1.442 -0.863 0 CA-C-O 121.248 0.546 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.9 m -109.89 130.68 55.5 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.043 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -135.06 153.9 51.88 Favored 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.45 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -96.96 122.79 40.33 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 37.2 t -107.08 126.44 63.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 73.6 m -118.15 120.49 37.88 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -143.02 132.95 24.14 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 62.32 10.93 4.17 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.678 0.791 . . . . 0.0 112.56 178.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.17 -3.56 47.84 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 -177.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 46.5 mm -98.73 109.31 23.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.239 0 CA-C-O 121.144 0.497 . . . . 0.0 110.079 -178.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 82.8 m -103.96 115.65 30.84 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.544 178.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -125.77 150.64 47.6 Favored 'General case' 0 C--N 1.291 -1.972 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.162 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -90.29 110.38 21.44 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -110.07 128.72 55.59 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.8 m . . . . . 0 C--N 1.303 -1.446 0 CA-C-O 120.911 0.386 . . . . 0.0 110.202 179.841 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 23.5 t-105 . . . . . 0 N--CA 1.441 -0.917 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 78.7 m -109.55 129.14 55.59 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.326 178.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -129.22 140.07 51.61 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.135 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -99.01 119.71 38.24 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.595 -178.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.9 t -112.86 138.87 40.66 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 71.8 m -122.15 125.93 47.21 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -131.68 117.24 18.39 Favored 'General case' 0 N--CA 1.427 -1.625 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 61.48 19.64 10.49 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.913 0.885 . . . . 0.0 112.545 177.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.94 -13.44 37.9 Favored Glycine 0 N--CA 1.437 -1.242 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.058 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 51.3 mm -88.42 110.89 21.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 89.9 m -107.55 120.13 41.34 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.484 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -127.8 143.69 51.12 Favored 'General case' 0 C--N 1.293 -1.887 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.045 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -98.82 110.88 23.41 Favored 'General case' 0 N--CA 1.426 -1.673 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 175.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -98.23 118.97 36.06 Favored 'General case' 0 C--N 1.278 -2.537 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 -176.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.0 m . . . . . 0 C--N 1.289 -2.026 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.982 178.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 . . . . . 0 N--CA 1.437 -1.112 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.7 m -112.47 127.94 56.19 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 121.092 0.473 . . . . 0.0 110.581 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -128.46 160.45 32.25 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.176 -178.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -110.31 118.22 35.74 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 40.0 t -104.76 127.63 59.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 177.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 70.8 m -119.78 111.88 18.55 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 178.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -125.53 125.02 42.56 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 60.93 18.46 8.84 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.205 1.002 . . . . 0.0 112.38 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.0 -10.44 48.01 Favored Glycine 0 N--CA 1.441 -1.025 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.63 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 45.6 mm -94.14 112.51 27.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.131 0.491 . . . . 0.0 110.499 -179.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 72.9 m -104.5 138.35 41.0 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.165 179.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -141.15 149.09 41.04 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.319 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -94.45 102.85 14.82 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -100.08 127.01 46.38 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -176.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m . . . . . 0 C--N 1.297 -1.706 0 CA-C-O 121.463 0.649 . . . . 0.0 110.809 -179.482 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 19.5 t90 . . . . . 0 CA--C 1.506 -0.717 0 CA-C-O 121.08 0.466 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.7 m -109.69 119.62 39.96 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 174.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -123.58 146.33 48.23 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.942 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -107.25 123.54 48.45 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 62.0 t -108.58 128.37 64.28 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.065 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 79.2 m -119.52 110.02 16.4 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 123.458 0.474 . . . . 0.0 109.743 178.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -120.69 113.49 20.29 Favored 'General case' 0 N--CA 1.427 -1.594 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 62.69 19.53 11.43 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.314 1.046 . . . . 0.0 111.61 177.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.21 -9.55 33.48 Favored Glycine 0 N--CA 1.438 -1.201 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.693 -178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 47.6 mm -91.87 104.83 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.048 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 95.6 m -102.65 121.99 43.52 Favored 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.84 179.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -131.13 143.78 50.9 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -104.91 116.48 32.05 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -110.22 123.23 49.41 Favored 'General case' 0 N--CA 1.411 -2.424 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.537 -176.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.1 m . . . . . 0 C--N 1.297 -1.689 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.785 -178.694 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 23.2 t90 . . . . . 0 N--CA 1.437 -1.1 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.1 m -110.74 122.4 47.72 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -128.13 145.75 50.91 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -111.33 129.67 55.92 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.9 t -117.91 141.73 35.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 76.2 m -125.01 128.92 49.3 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 178.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -134.44 114.9 13.37 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? 58.51 29.07 17.86 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 124.259 1.024 . . . . 0.0 112.177 174.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.19 -6.51 42.85 Favored Glycine 0 N--CA 1.434 -1.493 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.856 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 46.1 mm -99.77 110.65 27.38 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 CA-C-N 117.077 0.439 . . . . 0.0 110.11 178.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.4 m -108.79 121.15 44.46 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.218 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.5 p90 -130.49 147.93 52.24 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -112.67 128.05 56.29 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -110.46 127.48 55.16 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 176.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.5 m . . . . . 0 N--CA 1.415 -2.202 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 174.404 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 . . . . . 0 N--CA 1.432 -1.362 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.3 m -109.7 127.14 54.39 Favored 'General case' 0 C--N 1.284 -2.264 0 CA-C-O 121.189 0.519 . . . . 0.0 110.837 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -125.04 142.78 51.27 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.122 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -95.62 114.2 25.93 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -175.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.8 t -100.65 128.85 52.33 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.548 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 83.4 m -127.41 109.92 12.25 Favored 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 178.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -113.48 118.04 33.38 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 64.78 15.03 9.56 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.487 0.715 . . . . 0.0 110.627 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.16 -11.48 40.38 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 116.31 -0.405 . . . . 0.0 112.11 -176.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.548 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 51.3 mm -84.47 103.94 12.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.4 m -97.77 130.44 44.72 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.717 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -141.23 145.61 35.81 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.275 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -90.58 119.42 30.82 Favored 'General case' 0 C--N 1.288 -2.069 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -103.84 108.85 20.35 Favored 'General case' 0 C--N 1.287 -2.15 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 -178.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.0 m . . . . . 0 C--N 1.295 -1.799 0 CA-C-O 121.39 0.614 . . . . 0.0 111.163 -179.03 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.2 t90 . . . . . 0 N--CA 1.433 -1.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.3 m -109.89 119.92 40.86 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.141 0.496 . . . . 0.0 109.848 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -129.18 155.05 46.13 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.45 -176.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -107.27 128.63 54.61 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.1 t -111.6 133.03 58.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.554 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 73.8 m -121.0 124.91 46.03 Favored 'General case' 0 C--N 1.289 -2.047 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 175.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -129.93 113.05 14.13 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 63.03 20.89 12.58 Favored 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 122.262 1.029 . . . . 0.0 110.38 178.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.99 -19.01 30.71 Favored Glycine 0 N--CA 1.437 -1.299 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.688 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.554 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 50.7 mm -80.46 111.52 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.812 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 87.0 m -107.92 131.84 54.1 Favored 'General case' 0 C--N 1.291 -1.975 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.347 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -144.06 140.09 29.32 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.77 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -91.42 111.25 22.67 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 176.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -106.16 133.18 51.27 Favored 'General case' 0 C--N 1.283 -2.313 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.8 m . . . . . 0 C--N 1.287 -2.118 0 C-N-CA 120.447 -0.501 . . . . 0.0 109.881 177.363 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 . . . . . 0 N--CA 1.434 -1.26 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.0 m -119.72 136.98 54.2 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.007 178.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -129.28 152.59 48.68 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -107.79 113.15 26.19 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-O 121.015 0.436 . . . . 0.0 110.409 -175.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 60.5 t -90.69 115.63 30.35 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.946 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.9 m -114.62 122.01 45.19 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -125.5 113.31 17.3 Favored 'General case' 0 N--CA 1.417 -2.094 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 60.95 26.29 16.23 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.016 0.926 . . . . 0.0 111.13 178.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.46 -15.73 53.22 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.374 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.7 mm -87.03 103.42 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.025 0 CA-C-O 121.538 0.685 . . . . 0.0 109.492 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 72.3 m -102.23 135.48 43.75 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 114.396 -1.275 . . . . 0.0 111.439 -178.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -141.74 150.44 41.8 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 123.553 0.741 . . . . 0.0 109.045 174.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -99.4 122.56 42.69 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-O 121.155 0.502 . . . . 0.0 111.528 -175.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -110.15 134.68 51.95 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 174.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.2 m . . . . . 0 C--N 1.291 -1.94 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.451 -179.731 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 . . . . . 0 N--CA 1.45 -0.467 0 CA-C-O 121.203 0.525 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.6 t90 -69.95 111.3 5.56 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.559 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 71.9 m -109.87 125.3 52.64 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 115.222 -0.899 . . . . 0.0 108.957 177.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -131.84 145.12 51.37 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.771 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -97.33 118.28 33.45 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.764 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.9 t -101.56 123.18 54.52 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 N-CA-C 107.869 -1.159 . . . . 0.0 107.869 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 82.3 m -114.34 127.57 55.92 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -140.22 125.33 18.61 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 59.74 22.27 11.09 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-O 121.846 0.831 . . . . 0.0 111.308 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.14 -9.87 54.66 Favored Glycine 0 N--CA 1.441 -0.994 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.803 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 45.1 mm -97.93 115.48 38.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 116.94 0.37 . . . . 0.0 110.673 -179.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.6 m -106.94 131.57 53.87 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.193 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -140.08 147.53 40.42 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -101.91 128.41 48.33 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 120.622 0.248 . . . . 0.0 110.694 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 73.3 mmtt -111.11 149.04 31.4 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.2 m -128.22 123.25 33.76 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.063 0.459 . . . . 0.0 110.527 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -112.38 89.93 3.2 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.235 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.825 -178.825 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 . . . . . 0 C--O 1.24 0.553 0 CA-C-O 121.328 0.585 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 -86.42 107.59 18.11 Favored 'General case' 0 N--CA 1.437 -1.096 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.9 m -109.94 131.48 55.02 Favored 'General case' 0 C--N 1.288 -2.086 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.013 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -120.73 144.45 48.25 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.554 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -102.16 123.3 45.77 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.872 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.7 t -109.78 130.68 62.48 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 73.5 m -123.74 131.84 53.68 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-O 120.774 0.321 . . . . 0.0 111.071 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -151.94 131.22 12.81 Favored 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 64.52 16.15 10.07 Favored 'General case' 0 CA--C 1.564 1.487 0 CA-C-O 121.913 0.863 . . . . 0.0 111.091 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.88 1.47 70.44 Favored Glycine 0 C--N 1.311 -0.85 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.345 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 50.5 mm -99.05 114.99 38.53 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 91.9 m -111.22 122.08 46.94 Favored 'General case' 0 C--N 1.284 -2.281 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.028 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -128.21 144.95 51.16 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -108.7 127.79 54.29 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -110.63 134.19 52.65 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.6 m -109.36 130.07 55.51 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-O 121.414 0.626 . . . . 0.0 111.644 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -121.69 94.38 4.3 Favored 'General case' 0 N--CA 1.42 -1.958 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 175.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.262 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 -173.451 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 . . . . . 0 N--CA 1.45 -0.443 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -62.8 121.93 14.68 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 79.4 m -113.44 132.17 55.74 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -128.36 130.22 47.41 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-O 121.345 0.593 . . . . 0.0 111.193 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -87.86 122.56 31.65 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.92 -1.037 . . . . 0.0 109.557 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -115.63 131.51 67.8 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.499 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 84.7 m -124.59 124.96 43.37 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -132.98 120.99 22.13 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 56.94 25.11 10.19 Favored 'General case' 0 CA--C 1.561 1.372 0 C-N-CA 124.296 1.038 . . . . 0.0 111.17 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.57 -14.99 50.05 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.934 -0.651 . . . . 0.0 113.133 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.499 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 50.6 mm -88.25 107.78 17.94 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 O-C-N 122.303 -0.528 . . . . 0.0 110.273 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 89.4 m -102.3 127.2 49.38 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.385 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -132.89 156.53 47.05 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.495 176.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -111.89 122.19 47.09 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -177.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 30.0 mmtp -108.48 124.57 50.64 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 175.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.5 m -114.6 118.82 34.77 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -116.86 101.99 9.01 Favored 'General case' 0 N--CA 1.423 -1.809 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.344 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -175.507 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 N--CA 1.441 -0.879 0 CA-C-O 120.824 0.345 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.3 t-105 -95.33 107.13 19.23 Favored 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.9 m -111.94 126.55 55.25 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.59 -178.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -125.71 160.54 29.47 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.222 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -105.13 131.34 52.74 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.382 -176.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.3 t -120.59 132.98 68.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 175.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 72.9 m -125.55 138.05 53.95 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 120.456 0.17 . . . . 0.0 111.014 -177.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -146.6 125.61 12.83 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 173.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? 64.41 10.83 6.03 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 123.907 0.883 . . . . 0.0 112.057 178.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.54 -11.03 30.56 Favored Glycine 0 N--CA 1.437 -1.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.846 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.49 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 41.8 mm -90.68 113.53 26.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-O 120.898 0.38 . . . . 0.0 110.045 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.2 m -107.92 122.77 47.49 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.92 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -120.92 158.04 28.55 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.362 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -103.36 117.83 35.38 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -174.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -103.91 119.63 39.33 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.7 m -113.06 128.76 56.58 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 121.258 0.551 . . . . 0.0 111.254 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -115.23 95.66 5.29 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 105.982 -1.859 . . . . 0.0 105.982 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.975 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -177.756 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 . . . . . 0 CA--C 1.516 -0.345 0 CA-C-O 121.604 0.716 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 21.4 t-105 -106.7 105.29 15.26 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.723 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 79.3 m -109.39 132.66 53.92 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -140.12 144.69 36.87 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -177.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -101.79 116.69 33.27 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.033 -176.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.7 t -97.96 128.85 48.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 77.8 m -122.06 114.78 21.4 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-O 120.953 0.406 . . . . 0.0 110.394 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -118.02 116.93 27.88 Favored 'General case' 0 N--CA 1.423 -1.775 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 63.29 21.18 12.69 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.541 0.736 . . . . 0.0 111.079 176.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.63 -10.98 53.53 Favored Glycine 0 N--CA 1.432 -1.619 0 CA-C-N 115.333 -0.848 . . . . 0.0 112.396 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.4 mm -89.06 105.06 15.52 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 CA-C-O 121.367 0.604 . . . . 0.0 109.721 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 93.3 m -98.65 128.22 44.86 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 114.717 -1.128 . . . . 0.0 110.787 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -137.57 145.17 42.53 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 174.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -107.64 128.25 54.38 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-O 121.084 0.469 . . . . 0.0 111.308 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 73.2 mmtt -104.18 146.61 28.52 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.1 m -128.34 119.7 25.59 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.006 0.431 . . . . 0.0 110.416 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -119.38 96.39 5.19 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 177.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.165 0 N-CA-C 109.936 -1.265 . . . . 0.0 109.936 -176.536 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 . . . . . 0 C--O 1.234 0.265 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 22.5 t90 -104.09 114.14 28.17 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.854 -170.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.6 m -109.91 119.77 40.39 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.252 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -129.49 156.5 44.02 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -109.04 121.86 46.04 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 59.3 t -104.73 132.69 50.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 177.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 72.4 m -119.8 117.05 27.16 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 120.795 0.331 . . . . 0.0 110.136 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -135.44 127.67 30.09 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 64.66 13.93 8.68 Favored 'General case' 0 CA--C 1.565 1.555 0 CA-C-O 121.918 0.866 . . . . 0.0 111.461 174.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.4 -1.14 53.62 Favored Glycine 0 N--CA 1.44 -1.085 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.115 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 48.6 mm -101.81 111.15 30.57 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.296 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 98.0 m -105.27 119.62 39.51 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.614 178.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -124.53 143.41 50.69 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.513 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -91.12 116.75 29.05 Favored 'General case' 0 N--CA 1.427 -1.61 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -111.32 120.9 43.78 Favored 'General case' 0 C--N 1.273 -2.755 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.314 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.9 m -111.02 119.94 40.71 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 120.956 0.408 . . . . 0.0 111.051 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -125.78 118.26 25.16 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 176.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.093 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -178.814 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 120.76 0.314 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.4 t-105 -77.07 112.11 13.37 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.7 m -109.68 119.96 41.0 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.644 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -111.72 149.15 32.04 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.285 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -100.36 108.74 20.84 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.541 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 48.8 t -92.02 123.77 44.26 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.499 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 82.6 m -118.96 121.27 39.54 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -138.85 128.8 25.16 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 62.76 21.86 13.02 Favored 'General case' 0 CA--C 1.563 1.465 0 CA-C-O 122.719 1.247 . . . . 0.0 109.818 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.68 -13.24 66.68 Favored Glycine 0 N--CA 1.439 -1.15 0 CA-C-N 114.599 -1.182 . . . . 0.0 112.461 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.499 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 51.1 mm -88.58 116.79 30.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 120.779 0.323 . . . . 0.0 110.355 -176.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 74.6 m -106.85 134.59 49.77 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.244 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -140.98 164.98 28.81 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -116.0 114.44 24.6 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 120.52 0.2 . . . . 0.0 111.212 -174.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -111.04 147.29 35.1 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.7 m -123.83 119.67 30.38 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 120.867 0.365 . . . . 0.0 110.908 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -94.82 93.16 7.32 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 104.595 -2.372 . . . . 0.0 104.595 173.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.111 0 N-CA-C 107.846 -2.102 . . . . 0.0 107.846 -169.896 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 . . . . . 0 CA--C 1.52 -0.202 0 CA-C-O 120.668 0.27 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 22.4 t90 -104.98 117.94 35.27 Favored 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 120.271 -0.572 . . . . 0.0 111.977 -174.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.2 m -116.7 129.17 55.97 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.574 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -133.06 139.54 47.23 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -101.23 112.94 25.58 Favored 'General case' 0 C--N 1.308 -1.228 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.244 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.7 t -100.31 128.6 52.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 79.1 m -117.24 116.53 27.43 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -132.13 122.67 25.72 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 63.59 23.8 13.73 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.995 0.518 . . . . 0.0 110.174 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.15 -12.8 68.56 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.345 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 43.3 mm -81.86 103.8 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.4 m -100.62 119.36 38.44 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.976 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -132.96 143.34 49.4 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -99.34 113.1 25.23 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-O 121.41 0.624 . . . . 0.0 109.375 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -99.28 133.24 43.86 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 -177.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.3 m -125.1 136.84 54.03 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.304 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -130.31 99.84 5.17 Favored 'General case' 0 N--CA 1.427 -1.592 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 172.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.088 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.427 -179.485 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 . . . . . 0 C--O 1.243 0.758 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.9 t90 -95.84 113.31 24.93 Favored 'General case' 0 N--CA 1.431 -1.399 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.686 -174.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.6 m -109.86 121.59 45.59 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.442 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -128.55 140.52 51.75 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.224 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -103.11 117.59 34.89 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 50.7 t -105.73 131.01 56.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 68.2 m -119.53 127.47 53.04 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -139.0 128.8 24.84 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 61.25 18.0 8.76 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.903 0.881 . . . . 0.0 111.431 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.69 -6.82 60.86 Favored Glycine 0 N--CA 1.432 -1.604 0 C-N-CA 121.302 -0.475 . . . . 0.0 112.19 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 51.8 mm -93.04 113.1 27.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.015 0.436 . . . . 0.0 109.931 -179.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 98.6 m -105.11 122.28 45.57 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.197 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -127.56 138.53 52.91 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -94.08 126.77 39.5 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -110.48 111.3 22.46 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.2 m -102.96 119.24 38.49 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -126.54 111.47 14.41 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 107.734 -1.209 . . . . 0.0 107.734 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.749 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.115 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 . . . . . 0 N--CA 1.445 -0.691 0 CA-C-O 120.88 0.371 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 -82.88 103.37 12.3 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.147 0.498 . . . . 0.0 111.209 -173.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.9 m -109.7 134.93 51.42 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.003 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -139.97 141.99 36.36 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.912 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -80.03 120.83 24.73 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.651 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.4 t -107.94 113.28 43.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.493 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 64.9 m -112.76 128.06 56.32 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.734 177.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -144.14 135.48 25.65 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 175.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 64.92 13.32 8.5 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.587 0.755 . . . . 0.0 110.622 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.13 -9.85 63.5 Favored Glycine 0 N--CA 1.438 -1.195 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.911 -176.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 46.8 mm -91.91 124.08 44.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -177.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.0 m -112.16 123.02 49.36 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.934 -177.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -133.06 149.61 52.16 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -100.69 128.26 46.8 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-O 120.569 0.223 . . . . 0.0 110.849 -177.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -110.17 133.09 53.58 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 94.2 m -118.12 119.51 34.97 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.207 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -104.15 89.44 3.27 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 174.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.331 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -175.17 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 . . . . . 0 N--CA 1.444 -0.736 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 16.1 t-105 -110.28 125.31 53.0 Favored 'General case' 0 N--CA 1.437 -1.1 0 C-N-CA 120.464 -0.495 . . . . 0.0 111.04 -173.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.8 m -109.55 119.55 39.75 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 174.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 15' ' ' LYS . 33.9 p90 -123.16 137.49 54.89 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.652 -176.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -97.25 131.91 43.51 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.874 178.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.9 t -125.36 127.58 72.03 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 71.4 m -117.72 119.92 36.4 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -145.38 136.84 25.15 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 63.97 18.09 10.99 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 121.784 0.802 . . . . 0.0 110.722 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.16 13.72 63.55 Favored Glycine 0 N--CA 1.438 -1.204 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.959 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.501 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 48.6 mm -113.93 119.28 60.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.2 m -109.85 126.11 53.48 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.132 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -143.03 161.29 38.53 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 45.7 ttm180 -129.19 128.36 43.21 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 4' ' ' PHE . 13.8 mmmm -110.14 136.56 49.18 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.4 m -111.31 119.09 37.72 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 174.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -131.59 122.57 26.28 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.038 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -178.314 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 . . . . . 0 N--CA 1.451 -0.403 0 CA-C-O 121.09 0.472 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.412 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 17.3 t-105 -89.15 108.87 19.84 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.4 m -120.95 119.43 32.56 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.183 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -121.55 140.62 51.98 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -100.53 126.82 47.01 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.49 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -114.96 122.9 70.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 177.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.545 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 78.6 m -114.1 118.08 33.04 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 177.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -134.97 127.53 30.71 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? 60.75 19.82 9.91 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.321 0.582 . . . . 0.0 111.212 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.14 -11.16 60.28 Favored Glycine 0 N--CA 1.444 -0.829 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.459 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.545 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 47.7 mm -90.41 116.9 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.949 0 O-C-N 122.543 -0.386 . . . . 0.0 110.123 -178.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 97.3 m -109.61 111.6 23.19 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.687 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -120.24 158.83 26.18 Favored 'General case' 0 C--N 1.279 -2.467 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -127.18 122.67 34.74 Favored 'General case' 0 C--N 1.286 -2.157 0 C-N-CA 120.596 -0.442 . . . . 0.0 109.872 -176.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -97.87 125.22 42.64 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 2' ' ' TRP . 89.8 m -115.43 119.71 37.14 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-O 121.431 0.634 . . . . 0.0 112.187 -178.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -115.07 97.38 6.18 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 174.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.81 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 -176.932 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.413 ' H ' ' C ' ' A' ' 18' ' ' GLY . 23.4 t90 -62.19 114.99 3.76 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 123.399 0.68 . . . . 0.0 109.822 176.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.9 m -109.89 130.68 55.5 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.043 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -135.06 153.9 51.88 Favored 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.45 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -96.96 122.79 40.33 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 37.2 t -107.08 126.44 63.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 73.6 m -118.15 120.49 37.88 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -143.02 132.95 24.14 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 62.32 10.93 4.17 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.678 0.791 . . . . 0.0 112.56 178.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.17 -3.56 47.84 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 -177.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 46.5 mm -98.73 109.31 23.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.239 0 CA-C-O 121.144 0.497 . . . . 0.0 110.079 -178.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 82.8 m -103.96 115.65 30.84 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.544 178.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -125.77 150.64 47.6 Favored 'General case' 0 C--N 1.291 -1.972 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.162 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -90.29 110.38 21.44 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -110.07 128.72 55.59 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.8 m -113.99 128.15 56.26 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 120.911 0.386 . . . . 0.0 110.202 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -130.32 111.35 12.28 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 177.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.413 ' C ' ' H ' ' A' ' 2' ' ' TRP . . . . . . . . 0 CA--C 1.509 -0.328 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 23.5 t-105 -96.63 120.67 37.39 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.578 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 78.7 m -109.55 129.14 55.59 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.326 178.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -129.22 140.07 51.61 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.135 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -99.01 119.71 38.24 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.595 -178.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.9 t -112.86 138.87 40.66 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 71.8 m -122.15 125.93 47.21 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -131.68 117.24 18.39 Favored 'General case' 0 N--CA 1.427 -1.625 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 61.48 19.64 10.49 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.913 0.885 . . . . 0.0 112.545 177.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.94 -13.44 37.9 Favored Glycine 0 N--CA 1.437 -1.242 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.058 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 51.3 mm -88.42 110.89 21.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 89.9 m -107.55 120.13 41.34 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.484 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -127.8 143.69 51.12 Favored 'General case' 0 C--N 1.293 -1.887 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.045 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -98.82 110.88 23.41 Favored 'General case' 0 N--CA 1.426 -1.673 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 175.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -98.23 118.97 36.06 Favored 'General case' 0 C--N 1.278 -2.537 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 -176.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.0 m -102.48 119.23 38.46 Favored 'General case' 0 C--N 1.289 -2.026 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.982 178.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -116.7 102.5 9.48 Favored 'General case' 0 N--CA 1.426 -1.659 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.955 0 N-CA-C 108.639 -1.784 . . . . 0.0 108.639 -174.161 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 . . . . . 0 CA--C 1.516 -0.363 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -104.36 122.92 46.47 Favored 'General case' 0 N--CA 1.437 -1.112 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 -176.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.7 m -112.47 127.94 56.19 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 121.092 0.473 . . . . 0.0 110.581 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -128.46 160.45 32.25 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.176 -178.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -110.31 118.22 35.74 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 40.0 t -104.76 127.63 59.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 177.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 70.8 m -119.78 111.88 18.55 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 178.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -125.53 125.02 42.56 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 60.93 18.46 8.84 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.205 1.002 . . . . 0.0 112.38 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.0 -10.44 48.01 Favored Glycine 0 N--CA 1.441 -1.025 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.63 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 45.6 mm -94.14 112.51 27.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.131 0.491 . . . . 0.0 110.499 -179.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 72.9 m -104.5 138.35 41.0 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.165 179.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -141.15 149.09 41.04 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.319 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -94.45 102.85 14.82 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -100.08 127.01 46.38 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -176.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m -112.23 119.73 39.35 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-O 121.463 0.649 . . . . 0.0 110.809 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -111.28 100.82 9.37 Favored 'General case' 0 N--CA 1.425 -1.687 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.339 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -178.732 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 . . . . . 0 N--CA 1.451 -0.398 0 N-CA-C 111.52 0.193 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 19.5 t90 -107.98 119.94 40.9 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 119.655 -0.818 . . . . 0.0 112.111 -174.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.7 m -109.69 119.62 39.96 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 174.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -123.58 146.33 48.23 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.942 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -107.25 123.54 48.45 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 62.0 t -108.58 128.37 64.28 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.065 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 79.2 m -119.52 110.02 16.4 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 123.458 0.474 . . . . 0.0 109.743 178.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -120.69 113.49 20.29 Favored 'General case' 0 N--CA 1.427 -1.594 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 62.69 19.53 11.43 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.314 1.046 . . . . 0.0 111.61 177.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.21 -9.55 33.48 Favored Glycine 0 N--CA 1.438 -1.201 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.693 -178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 47.6 mm -91.87 104.83 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.048 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 95.6 m -102.65 121.99 43.52 Favored 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.84 179.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -131.13 143.78 50.9 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -104.91 116.48 32.05 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -110.22 123.23 49.41 Favored 'General case' 0 N--CA 1.411 -2.424 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.537 -176.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.1 m -110.09 119.97 40.97 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.785 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -115.64 92.21 3.84 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.098 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.789 -179.864 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 . . . . . 0 C--O 1.237 0.413 0 CA-C-O 121.529 0.68 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -99.24 111.79 24.09 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.765 -178.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.1 m -110.74 122.4 47.72 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -128.13 145.75 50.91 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -111.33 129.67 55.92 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.9 t -117.91 141.73 35.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 76.2 m -125.01 128.92 49.3 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 178.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -134.44 114.9 13.37 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? 58.51 29.07 17.86 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 124.259 1.024 . . . . 0.0 112.177 174.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.19 -6.51 42.85 Favored Glycine 0 N--CA 1.434 -1.493 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.856 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 46.1 mm -99.77 110.65 27.38 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 CA-C-N 117.077 0.439 . . . . 0.0 110.11 178.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.4 m -108.79 121.15 44.46 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.218 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.5 p90 -130.49 147.93 52.24 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -112.67 128.05 56.29 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -110.46 127.48 55.16 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 176.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.5 m -103.01 118.46 36.86 Favored 'General case' 0 N--CA 1.415 -2.202 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 174.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -115.42 99.26 7.24 Favored 'General case' 0 C--N 1.282 -2.345 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -178.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.263 0 N-CA-C 109.385 -1.486 . . . . 0.0 109.385 -174.361 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 . . . . . 0 N--CA 1.442 -0.866 0 CA-C-O 121.561 0.696 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 -94.2 115.72 28.02 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.3 m -109.7 127.14 54.39 Favored 'General case' 0 C--N 1.284 -2.264 0 CA-C-O 121.189 0.519 . . . . 0.0 110.837 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -125.04 142.78 51.27 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.122 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -95.62 114.2 25.93 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -175.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.8 t -100.65 128.85 52.33 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.548 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 83.4 m -127.41 109.92 12.25 Favored 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 178.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -113.48 118.04 33.38 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 64.78 15.03 9.56 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.487 0.715 . . . . 0.0 110.627 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.16 -11.48 40.38 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 116.31 -0.405 . . . . 0.0 112.11 -176.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.548 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 51.3 mm -84.47 103.94 12.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.4 m -97.77 130.44 44.72 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.717 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -141.23 145.61 35.81 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.275 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -90.58 119.42 30.82 Favored 'General case' 0 C--N 1.288 -2.069 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -103.84 108.85 20.35 Favored 'General case' 0 C--N 1.287 -2.15 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 -178.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.0 m -101.81 119.94 39.58 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.39 0.614 . . . . 0.0 111.163 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -114.74 107.14 15.06 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 178.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.383 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -175.511 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 . . . . . 0 N--CA 1.445 -0.713 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.2 t90 -102.32 117.28 34.41 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.703 -176.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.3 m -109.89 119.92 40.86 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.141 0.496 . . . . 0.0 109.848 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -129.18 155.05 46.13 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.45 -176.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -107.27 128.63 54.61 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.1 t -111.6 133.03 58.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.554 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 73.8 m -121.0 124.91 46.03 Favored 'General case' 0 C--N 1.289 -2.047 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 175.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -129.93 113.05 14.13 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 63.03 20.89 12.58 Favored 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 122.262 1.029 . . . . 0.0 110.38 178.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.99 -19.01 30.71 Favored Glycine 0 N--CA 1.437 -1.299 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.688 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.554 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 50.7 mm -80.46 111.52 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.812 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 87.0 m -107.92 131.84 54.1 Favored 'General case' 0 C--N 1.291 -1.975 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.347 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -144.06 140.09 29.32 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.77 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -91.42 111.25 22.67 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 176.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -106.16 133.18 51.27 Favored 'General case' 0 C--N 1.283 -2.313 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.8 m -107.63 132.49 53.25 Favored 'General case' 0 C--N 1.287 -2.118 0 C-N-CA 120.447 -0.501 . . . . 0.0 109.881 177.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -124.1 94.78 4.32 Favored 'General case' 0 N--CA 1.417 -2.107 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.324 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.345 -179.574 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 121.352 0.596 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 -110.11 130.73 55.49 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.26 -177.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.0 m -119.72 136.98 54.2 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.007 178.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -129.28 152.59 48.68 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -107.79 113.15 26.19 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-O 121.015 0.436 . . . . 0.0 110.409 -175.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 60.5 t -90.69 115.63 30.35 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.946 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.9 m -114.62 122.01 45.19 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -125.5 113.31 17.3 Favored 'General case' 0 N--CA 1.417 -2.094 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 60.95 26.29 16.23 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.016 0.926 . . . . 0.0 111.13 178.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.46 -15.73 53.22 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.374 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.7 mm -87.03 103.42 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.025 0 CA-C-O 121.538 0.685 . . . . 0.0 109.492 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 72.3 m -102.23 135.48 43.75 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 114.396 -1.275 . . . . 0.0 111.439 -178.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -141.74 150.44 41.8 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 123.553 0.741 . . . . 0.0 109.045 174.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -99.4 122.56 42.69 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-O 121.155 0.502 . . . . 0.0 111.528 -175.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -110.15 134.68 51.95 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 174.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.2 m -119.58 134.74 55.09 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.451 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -130.55 109.55 10.76 Favored 'General case' 0 N--CA 1.421 -1.919 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 175.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.629 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 -178.609 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.6 t90 . . . . . 0 N--CA 1.445 -0.713 0 CA-C-O 121.115 0.484 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 71.9 m -109.87 125.3 52.64 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 115.222 -0.899 . . . . 0.0 108.957 177.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -131.84 145.12 51.37 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.771 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -97.33 118.28 33.45 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.764 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.9 t -101.56 123.18 54.52 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 N-CA-C 107.869 -1.159 . . . . 0.0 107.869 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 82.3 m -114.34 127.57 55.92 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -140.22 125.33 18.61 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 59.74 22.27 11.09 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-O 121.846 0.831 . . . . 0.0 111.308 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.14 -9.87 54.66 Favored Glycine 0 N--CA 1.441 -0.994 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.803 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.437 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 45.1 mm -97.93 115.48 38.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 116.94 0.37 . . . . 0.0 110.673 -179.059 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.6 m -106.94 131.57 53.87 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.193 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -140.08 147.53 40.42 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -101.91 128.41 48.33 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 120.622 0.248 . . . . 0.0 110.694 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 73.3 mmtt -111.11 149.04 31.4 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.2 m . . . . . 0 C--N 1.306 -1.304 0 CA-C-O 121.063 0.459 . . . . 0.0 110.527 179.172 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 . . . . . 0 N--CA 1.437 -1.096 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 72.9 m -109.94 131.48 55.02 Favored 'General case' 0 C--N 1.288 -2.086 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.013 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -120.73 144.45 48.25 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.554 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -102.16 123.3 45.77 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.872 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.7 t -109.78 130.68 62.48 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 73.5 m -123.74 131.84 53.68 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-O 120.774 0.321 . . . . 0.0 111.071 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -151.94 131.22 12.81 Favored 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 64.52 16.15 10.07 Favored 'General case' 0 CA--C 1.564 1.487 0 CA-C-O 121.913 0.863 . . . . 0.0 111.091 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.88 1.47 70.44 Favored Glycine 0 C--N 1.311 -0.85 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.345 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 50.5 mm -99.05 114.99 38.53 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 91.9 m -111.22 122.08 46.94 Favored 'General case' 0 C--N 1.284 -2.281 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.028 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -128.21 144.95 51.16 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -108.7 127.79 54.29 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -110.63 134.19 52.65 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 93.6 m . . . . . 0 C--N 1.287 -2.147 0 CA-C-O 121.414 0.626 . . . . 0.0 111.644 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 79.4 m -113.44 132.17 55.74 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -128.36 130.22 47.41 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-O 121.345 0.593 . . . . 0.0 111.193 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -87.86 122.56 31.65 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.92 -1.037 . . . . 0.0 109.557 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -115.63 131.51 67.8 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 84.7 m -124.59 124.96 43.37 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -132.98 120.99 22.13 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 56.94 25.11 10.19 Favored 'General case' 0 CA--C 1.561 1.372 0 C-N-CA 124.296 1.038 . . . . 0.0 111.17 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.57 -14.99 50.05 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.934 -0.651 . . . . 0.0 113.133 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 50.6 mm -88.25 107.78 17.94 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 O-C-N 122.303 -0.528 . . . . 0.0 110.273 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 89.4 m -102.3 127.2 49.38 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.385 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -132.89 156.53 47.05 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.495 176.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -111.89 122.19 47.09 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -177.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 30.0 mmtp -108.48 124.57 50.64 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 175.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.5 m . . . . . 0 C--N 1.294 -1.842 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.325 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.3 t-105 . . . . . 0 N--CA 1.435 -1.201 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.9 m -111.94 126.55 55.25 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.59 -178.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -125.71 160.54 29.47 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.222 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -105.13 131.34 52.74 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.382 -176.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.3 t -120.59 132.98 68.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 175.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 72.9 m -125.55 138.05 53.95 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 120.456 0.17 . . . . 0.0 111.014 -177.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -146.6 125.61 12.83 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 173.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? 64.41 10.83 6.03 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 123.907 0.883 . . . . 0.0 112.057 178.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.54 -11.03 30.56 Favored Glycine 0 N--CA 1.437 -1.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.846 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 41.8 mm -90.68 113.53 26.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-O 120.898 0.38 . . . . 0.0 110.045 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.2 m -107.92 122.77 47.49 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.92 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -120.92 158.04 28.55 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.362 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -103.36 117.83 35.38 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -174.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -103.91 119.63 39.33 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.7 m . . . . . 0 C--N 1.294 -1.846 0 CA-C-O 121.258 0.551 . . . . 0.0 111.254 -179.129 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 21.4 t-105 . . . . . 0 N--CA 1.433 -1.316 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 79.3 m -109.39 132.66 53.92 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.346 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -140.12 144.69 36.87 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -177.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -101.79 116.69 33.27 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.033 -176.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 44.7 t -97.96 128.85 48.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 77.8 m -122.06 114.78 21.4 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-O 120.953 0.406 . . . . 0.0 110.394 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -118.02 116.93 27.88 Favored 'General case' 0 N--CA 1.423 -1.775 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 63.29 21.18 12.69 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.541 0.736 . . . . 0.0 111.079 176.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.63 -10.98 53.53 Favored Glycine 0 N--CA 1.432 -1.619 0 CA-C-N 115.333 -0.848 . . . . 0.0 112.396 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.4 mm -89.06 105.06 15.52 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 CA-C-O 121.367 0.604 . . . . 0.0 109.721 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 93.3 m -98.65 128.22 44.86 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 114.717 -1.128 . . . . 0.0 110.787 -178.137 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -137.57 145.17 42.53 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 174.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -107.64 128.25 54.38 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-O 121.084 0.469 . . . . 0.0 111.308 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 73.2 mmtt -104.18 146.61 28.52 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.1 m . . . . . 0 C--N 1.302 -1.487 0 CA-C-O 121.006 0.431 . . . . 0.0 110.416 178.902 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 22.5 t90 . . . . . 0 N--CA 1.437 -1.099 0 CA-C-O 121.049 0.452 . . . . 0.0 111.854 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.6 m -109.91 119.77 40.39 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.252 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -129.49 156.5 44.02 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -109.04 121.86 46.04 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 59.3 t -104.73 132.69 50.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 177.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.4 m -119.8 117.05 27.16 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 120.795 0.331 . . . . 0.0 110.136 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -135.44 127.67 30.09 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 64.66 13.93 8.68 Favored 'General case' 0 CA--C 1.565 1.555 0 CA-C-O 121.918 0.866 . . . . 0.0 111.461 174.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.4 -1.14 53.62 Favored Glycine 0 N--CA 1.44 -1.085 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.115 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.6 mm -101.81 111.15 30.57 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.296 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 98.0 m -105.27 119.62 39.51 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.614 178.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -124.53 143.41 50.69 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.513 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -91.12 116.75 29.05 Favored 'General case' 0 N--CA 1.427 -1.61 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -111.32 120.9 43.78 Favored 'General case' 0 C--N 1.273 -2.755 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.314 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.9 m . . . . . 0 C--N 1.297 -1.711 0 CA-C-O 120.956 0.408 . . . . 0.0 111.051 179.63 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.4 t-105 . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 62.7 m -109.68 119.96 41.0 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.644 -176.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -111.72 149.15 32.04 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.285 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -100.36 108.74 20.84 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.541 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 48.8 t -92.02 123.77 44.26 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 82.6 m -118.96 121.27 39.54 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.145 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -138.85 128.8 25.16 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 62.76 21.86 13.02 Favored 'General case' 0 CA--C 1.563 1.465 0 CA-C-O 122.719 1.247 . . . . 0.0 109.818 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.68 -13.24 66.68 Favored Glycine 0 N--CA 1.439 -1.15 0 CA-C-N 114.599 -1.182 . . . . 0.0 112.461 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.504 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 51.1 mm -88.58 116.79 30.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 120.779 0.323 . . . . 0.0 110.355 -176.278 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 74.6 m -106.85 134.59 49.77 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.244 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -140.98 164.98 28.81 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -116.0 114.44 24.6 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 120.52 0.2 . . . . 0.0 111.212 -174.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -111.04 147.29 35.1 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 55.7 m . . . . . 0 C--N 1.302 -1.492 0 CA-C-O 120.867 0.365 . . . . 0.0 110.908 -179.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 22.4 t90 . . . . . 0 N--CA 1.439 -1.0 0 CA-C-O 121.187 0.517 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.2 m -116.7 129.17 55.97 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.574 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -133.06 139.54 47.23 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -101.23 112.94 25.58 Favored 'General case' 0 C--N 1.308 -1.228 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.244 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.7 t -100.31 128.6 52.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.536 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 79.1 m -117.24 116.53 27.43 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -132.13 122.67 25.72 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 63.59 23.8 13.73 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.995 0.518 . . . . 0.0 110.174 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.15 -12.8 68.56 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.345 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.536 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 43.3 mm -81.86 103.8 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.4 m -100.62 119.36 38.44 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.976 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -132.96 143.34 49.4 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -99.34 113.1 25.23 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-O 121.41 0.624 . . . . 0.0 109.375 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -99.28 133.24 43.86 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 -177.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 C--N 1.298 -1.673 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.304 -178.263 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.9 t90 . . . . . 0 N--CA 1.431 -1.399 0 CA-C-O 120.946 0.403 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.6 m -109.86 121.59 45.59 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.442 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -128.55 140.52 51.75 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.224 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -103.11 117.59 34.89 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 50.7 t -105.73 131.01 56.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 68.2 m -119.53 127.47 53.04 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -139.0 128.8 24.84 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 61.25 18.0 8.76 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.903 0.881 . . . . 0.0 111.431 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.69 -6.82 60.86 Favored Glycine 0 N--CA 1.432 -1.604 0 C-N-CA 121.302 -0.475 . . . . 0.0 112.19 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.489 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 51.8 mm -93.04 113.1 27.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.015 0.436 . . . . 0.0 109.931 -179.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 98.6 m -105.11 122.28 45.57 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.197 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -127.56 138.53 52.91 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -94.08 126.77 39.5 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -110.48 111.3 22.46 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.2 m . . . . . 0 C--N 1.285 -2.202 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 175.092 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 . . . . . 0 CA--C 1.536 0.429 0 CA-C-O 121.147 0.498 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.9 m -109.7 134.93 51.42 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.003 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -139.97 141.99 36.36 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.912 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -80.03 120.83 24.73 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.651 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.4 t -107.94 113.28 43.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 64.9 m -112.76 128.06 56.32 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.734 177.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -144.14 135.48 25.65 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 175.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 64.92 13.32 8.5 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.587 0.755 . . . . 0.0 110.622 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.13 -9.85 63.5 Favored Glycine 0 N--CA 1.438 -1.195 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.911 -176.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 46.8 mm -91.91 124.08 44.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -177.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.0 m -112.16 123.02 49.36 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.934 -177.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -133.06 149.61 52.16 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -100.69 128.26 46.8 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-O 120.569 0.223 . . . . 0.0 110.849 -177.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -110.17 133.09 53.58 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 94.2 m . . . . . 0 C--N 1.292 -1.893 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.207 -178.779 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 16.1 t-105 . . . . . 0 N--CA 1.437 -1.1 0 CA-C-O 120.924 0.392 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.8 m -109.55 119.55 39.75 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 174.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 15' ' ' LYS . 33.9 p90 -123.16 137.49 54.89 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.652 -176.09 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -97.25 131.91 43.51 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.874 178.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.9 t -125.36 127.58 72.03 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 71.4 m -117.72 119.92 36.4 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -145.38 136.84 25.15 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 63.97 18.09 10.99 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 121.784 0.802 . . . . 0.0 110.722 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.16 13.72 63.55 Favored Glycine 0 N--CA 1.438 -1.204 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.959 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.507 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 48.6 mm -113.93 119.28 60.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.2 m -109.85 126.11 53.48 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.132 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -143.03 161.29 38.53 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 14' ' ' ARG . 45.7 ttm180 -129.19 128.36 43.21 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 4' ' ' PHE . 13.8 mmmm -110.14 136.56 49.18 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.4 m . . . . . 0 C--N 1.286 -2.154 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 174.639 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.423 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 17.3 t-105 . . . . . 0 N--CA 1.44 -0.938 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.4 m -120.95 119.43 32.56 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.183 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.424 ' CE2' ' HB2' ' A' ' 15' ' ' LYS . 27.9 p90 -121.55 140.62 51.98 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -100.53 126.82 47.01 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.49 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -114.96 122.9 70.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 177.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 78.6 m -114.1 118.08 33.04 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 177.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -134.97 127.53 30.71 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? 60.75 19.82 9.91 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.321 0.582 . . . . 0.0 111.212 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.14 -11.16 60.28 Favored Glycine 0 N--CA 1.444 -0.829 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.459 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 47.7 mm -90.41 116.9 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.949 0 O-C-N 122.543 -0.386 . . . . 0.0 110.123 -178.037 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 97.3 m -109.61 111.6 23.19 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.687 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -120.24 158.83 26.18 Favored 'General case' 0 C--N 1.279 -2.467 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -127.18 122.67 34.74 Favored 'General case' 0 C--N 1.286 -2.157 0 C-N-CA 120.596 -0.442 . . . . 0.0 109.872 -176.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.424 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . 32.2 mmmt -97.87 125.22 42.64 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 2' ' ' TRP . 89.8 m . . . . . 0 C--N 1.295 -1.793 0 CA-C-O 121.431 0.634 . . . . 0.0 112.187 -178.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 23.4 t90 . . . . . 0 N--CA 1.442 -0.863 0 CA-C-O 121.248 0.546 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.9 m -109.89 130.68 55.5 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.043 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -135.06 153.9 51.88 Favored 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.45 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -96.96 122.79 40.33 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 37.2 t -107.08 126.44 63.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 73.6 m -118.15 120.49 37.88 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -143.02 132.95 24.14 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 62.32 10.93 4.17 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.678 0.791 . . . . 0.0 112.56 178.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.17 -3.56 47.84 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 -177.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 46.5 mm -98.73 109.31 23.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.239 0 CA-C-O 121.144 0.497 . . . . 0.0 110.079 -178.317 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 82.8 m -103.96 115.65 30.84 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.544 178.178 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -125.77 150.64 47.6 Favored 'General case' 0 C--N 1.291 -1.972 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.162 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -90.29 110.38 21.44 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -110.07 128.72 55.59 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.8 m . . . . . 0 C--N 1.303 -1.446 0 CA-C-O 120.911 0.386 . . . . 0.0 110.202 179.841 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 23.5 t-105 . . . . . 0 N--CA 1.441 -0.917 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 78.7 m -109.55 129.14 55.59 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.326 178.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -129.22 140.07 51.61 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.135 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -99.01 119.71 38.24 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.595 -178.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.9 t -112.86 138.87 40.66 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 71.8 m -122.15 125.93 47.21 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -131.68 117.24 18.39 Favored 'General case' 0 N--CA 1.427 -1.625 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 61.48 19.64 10.49 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.913 0.885 . . . . 0.0 112.545 177.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.94 -13.44 37.9 Favored Glycine 0 N--CA 1.437 -1.242 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.058 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 51.3 mm -88.42 110.89 21.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 89.9 m -107.55 120.13 41.34 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.484 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -127.8 143.69 51.12 Favored 'General case' 0 C--N 1.293 -1.887 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.045 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -98.82 110.88 23.41 Favored 'General case' 0 N--CA 1.426 -1.673 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 175.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -98.23 118.97 36.06 Favored 'General case' 0 C--N 1.278 -2.537 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 -176.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.0 m . . . . . 0 C--N 1.289 -2.026 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.982 178.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 . . . . . 0 N--CA 1.437 -1.112 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.7 m -112.47 127.94 56.19 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 121.092 0.473 . . . . 0.0 110.581 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -128.46 160.45 32.25 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.176 -178.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -110.31 118.22 35.74 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 40.0 t -104.76 127.63 59.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 177.132 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 70.8 m -119.78 111.88 18.55 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 178.479 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -125.53 125.02 42.56 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 60.93 18.46 8.84 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.205 1.002 . . . . 0.0 112.38 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.0 -10.44 48.01 Favored Glycine 0 N--CA 1.441 -1.025 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.63 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 45.6 mm -94.14 112.51 27.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.131 0.491 . . . . 0.0 110.499 -179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 72.9 m -104.5 138.35 41.0 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.165 179.273 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -141.15 149.09 41.04 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.319 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -94.45 102.85 14.82 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -100.08 127.01 46.38 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -176.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m . . . . . 0 C--N 1.297 -1.706 0 CA-C-O 121.463 0.649 . . . . 0.0 110.809 -179.482 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 19.5 t90 . . . . . 0 CA--C 1.506 -0.717 0 CA-C-O 121.08 0.466 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 86.7 m -109.69 119.62 39.96 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 174.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -123.58 146.33 48.23 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.942 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -107.25 123.54 48.45 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 62.0 t -108.58 128.37 64.28 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.065 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 79.2 m -119.52 110.02 16.4 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 123.458 0.474 . . . . 0.0 109.743 178.235 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -120.69 113.49 20.29 Favored 'General case' 0 N--CA 1.427 -1.594 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 62.69 19.53 11.43 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.314 1.046 . . . . 0.0 111.61 177.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.21 -9.55 33.48 Favored Glycine 0 N--CA 1.438 -1.201 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.693 -178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 47.6 mm -91.87 104.83 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.048 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 95.6 m -102.65 121.99 43.52 Favored 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.84 179.017 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -131.13 143.78 50.9 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -104.91 116.48 32.05 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -110.22 123.23 49.41 Favored 'General case' 0 N--CA 1.411 -2.424 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.537 -176.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.1 m . . . . . 0 C--N 1.297 -1.689 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.785 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 23.2 t90 . . . . . 0 N--CA 1.437 -1.1 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.1 m -110.74 122.4 47.72 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -128.13 145.75 50.91 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -111.33 129.67 55.92 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 41.9 t -117.91 141.73 35.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 76.2 m -125.01 128.92 49.3 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 178.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -134.44 114.9 13.37 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? 58.51 29.07 17.86 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 124.259 1.024 . . . . 0.0 112.177 174.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.19 -6.51 42.85 Favored Glycine 0 N--CA 1.434 -1.493 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.856 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 46.1 mm -99.77 110.65 27.38 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 CA-C-N 117.077 0.439 . . . . 0.0 110.11 178.466 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 95.4 m -108.79 121.15 44.46 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.218 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.5 p90 -130.49 147.93 52.24 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -112.67 128.05 56.29 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -110.46 127.48 55.16 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 176.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.5 m . . . . . 0 N--CA 1.415 -2.202 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 174.404 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 . . . . . 0 N--CA 1.432 -1.362 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.3 m -109.7 127.14 54.39 Favored 'General case' 0 C--N 1.284 -2.264 0 CA-C-O 121.189 0.519 . . . . 0.0 110.837 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -125.04 142.78 51.27 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.122 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -95.62 114.2 25.93 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -175.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.8 t -100.65 128.85 52.33 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 83.4 m -127.41 109.92 12.25 Favored 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 178.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -113.48 118.04 33.38 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 64.78 15.03 9.56 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.487 0.715 . . . . 0.0 110.627 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.16 -11.48 40.38 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 116.31 -0.405 . . . . 0.0 112.11 -176.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.54 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 51.3 mm -84.47 103.94 12.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.4 m -97.77 130.44 44.72 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.717 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -141.23 145.61 35.81 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.275 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -90.58 119.42 30.82 Favored 'General case' 0 C--N 1.288 -2.069 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -103.84 108.85 20.35 Favored 'General case' 0 C--N 1.287 -2.15 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 -178.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.0 m . . . . . 0 C--N 1.295 -1.799 0 CA-C-O 121.39 0.614 . . . . 0.0 111.163 -179.03 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.2 t90 . . . . . 0 N--CA 1.433 -1.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.3 m -109.89 119.92 40.86 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.141 0.496 . . . . 0.0 109.848 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -129.18 155.05 46.13 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.45 -176.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -107.27 128.63 54.61 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.1 t -111.6 133.03 58.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.553 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 73.8 m -121.0 124.91 46.03 Favored 'General case' 0 C--N 1.289 -2.047 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 175.043 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -129.93 113.05 14.13 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 63.03 20.89 12.58 Favored 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 122.262 1.029 . . . . 0.0 110.38 178.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.99 -19.01 30.71 Favored Glycine 0 N--CA 1.437 -1.299 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.688 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.553 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 50.7 mm -80.46 111.52 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.812 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 87.0 m -107.92 131.84 54.1 Favored 'General case' 0 C--N 1.291 -1.975 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.347 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -144.06 140.09 29.32 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.77 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -91.42 111.25 22.67 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 176.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -106.16 133.18 51.27 Favored 'General case' 0 C--N 1.283 -2.313 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.8 m . . . . . 0 C--N 1.287 -2.118 0 C-N-CA 120.447 -0.501 . . . . 0.0 109.881 177.363 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 . . . . . 0 N--CA 1.434 -1.26 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.0 m -119.72 136.98 54.2 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.007 178.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -129.28 152.59 48.68 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -107.79 113.15 26.19 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-O 121.015 0.436 . . . . 0.0 110.409 -175.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 60.5 t -90.69 115.63 30.35 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.946 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.9 m -114.62 122.01 45.19 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -125.5 113.31 17.3 Favored 'General case' 0 N--CA 1.417 -2.094 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 60.95 26.29 16.23 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.016 0.926 . . . . 0.0 111.13 178.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.46 -15.73 53.22 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.374 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.7 mm -87.03 103.42 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.025 0 CA-C-O 121.538 0.685 . . . . 0.0 109.492 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 72.3 m -102.23 135.48 43.75 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 114.396 -1.275 . . . . 0.0 111.439 -178.087 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -141.74 150.44 41.8 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 123.553 0.741 . . . . 0.0 109.045 174.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -99.4 122.56 42.69 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-O 121.155 0.502 . . . . 0.0 111.528 -175.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -110.15 134.68 51.95 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 174.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.2 m . . . . . 0 C--N 1.291 -1.94 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.451 -179.731 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 . . . . . 0 N--CA 1.45 -0.467 0 CA-C-O 121.203 0.525 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.6 t90 -69.95 111.3 5.56 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.559 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 71.9 m -109.87 125.3 52.64 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 115.222 -0.899 . . . . 0.0 108.957 177.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -131.84 145.12 51.37 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.771 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -97.33 118.28 33.45 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.764 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.9 t -101.56 123.18 54.52 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 N-CA-C 107.869 -1.159 . . . . 0.0 107.869 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 82.3 m -114.34 127.57 55.92 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -140.22 125.33 18.61 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 59.74 22.27 11.09 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-O 121.846 0.831 . . . . 0.0 111.308 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.14 -9.87 54.66 Favored Glycine 0 N--CA 1.441 -0.994 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.803 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.437 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 45.1 mm -97.93 115.48 38.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 116.94 0.37 . . . . 0.0 110.673 -179.059 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.6 m -106.94 131.57 53.87 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.193 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -140.08 147.53 40.42 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -101.91 128.41 48.33 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 120.622 0.248 . . . . 0.0 110.694 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 73.3 mmtt -111.11 149.04 31.4 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.2 m -128.22 123.25 33.76 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.063 0.459 . . . . 0.0 110.527 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -112.38 89.93 3.2 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.235 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.825 -178.825 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 . . . . . 0 C--O 1.24 0.553 0 CA-C-O 121.328 0.585 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 -86.42 107.59 18.11 Favored 'General case' 0 N--CA 1.437 -1.096 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 72.9 m -109.94 131.48 55.02 Favored 'General case' 0 C--N 1.288 -2.086 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.013 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -120.73 144.45 48.25 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.554 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -102.16 123.3 45.77 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.872 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.7 t -109.78 130.68 62.48 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 73.5 m -123.74 131.84 53.68 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-O 120.774 0.321 . . . . 0.0 111.071 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -151.94 131.22 12.81 Favored 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 64.52 16.15 10.07 Favored 'General case' 0 CA--C 1.564 1.487 0 CA-C-O 121.913 0.863 . . . . 0.0 111.091 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.88 1.47 70.44 Favored Glycine 0 C--N 1.311 -0.85 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.345 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 50.5 mm -99.05 114.99 38.53 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 91.9 m -111.22 122.08 46.94 Favored 'General case' 0 C--N 1.284 -2.281 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.028 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -128.21 144.95 51.16 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -108.7 127.79 54.29 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -110.63 134.19 52.65 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 93.6 m -109.36 130.07 55.51 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-O 121.414 0.626 . . . . 0.0 111.644 -178.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -121.69 94.38 4.3 Favored 'General case' 0 N--CA 1.42 -1.958 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 175.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.262 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 -173.451 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 . . . . . 0 N--CA 1.45 -0.443 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -62.8 121.93 14.68 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 79.4 m -113.44 132.17 55.74 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -128.36 130.22 47.41 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-O 121.345 0.593 . . . . 0.0 111.193 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -87.86 122.56 31.65 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.92 -1.037 . . . . 0.0 109.557 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -115.63 131.51 67.8 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 84.7 m -124.59 124.96 43.37 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -132.98 120.99 22.13 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 56.94 25.11 10.19 Favored 'General case' 0 CA--C 1.561 1.372 0 C-N-CA 124.296 1.038 . . . . 0.0 111.17 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.57 -14.99 50.05 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.934 -0.651 . . . . 0.0 113.133 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 50.6 mm -88.25 107.78 17.94 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 O-C-N 122.303 -0.528 . . . . 0.0 110.273 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 89.4 m -102.3 127.2 49.38 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.385 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -132.89 156.53 47.05 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.495 176.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -111.89 122.19 47.09 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -177.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 30.0 mmtp -108.48 124.57 50.64 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 175.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.5 m -114.6 118.82 34.77 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -116.86 101.99 9.01 Favored 'General case' 0 N--CA 1.423 -1.809 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.344 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -175.507 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 N--CA 1.441 -0.879 0 CA-C-O 120.824 0.345 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.3 t-105 -95.33 107.13 19.23 Favored 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.9 m -111.94 126.55 55.25 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.59 -178.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -125.71 160.54 29.47 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.222 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -105.13 131.34 52.74 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.382 -176.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.3 t -120.59 132.98 68.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 175.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 72.9 m -125.55 138.05 53.95 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 120.456 0.17 . . . . 0.0 111.014 -177.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -146.6 125.61 12.83 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 173.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? 64.41 10.83 6.03 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 123.907 0.883 . . . . 0.0 112.057 178.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.54 -11.03 30.56 Favored Glycine 0 N--CA 1.437 -1.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.846 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 41.8 mm -90.68 113.53 26.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-O 120.898 0.38 . . . . 0.0 110.045 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.2 m -107.92 122.77 47.49 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.92 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -120.92 158.04 28.55 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.362 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -103.36 117.83 35.38 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -174.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -103.91 119.63 39.33 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.7 m -113.06 128.76 56.58 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 121.258 0.551 . . . . 0.0 111.254 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -115.23 95.66 5.29 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 105.982 -1.859 . . . . 0.0 105.982 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.975 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -177.756 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 . . . . . 0 CA--C 1.516 -0.345 0 CA-C-O 121.604 0.716 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 21.4 t-105 -106.7 105.29 15.26 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.723 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 79.3 m -109.39 132.66 53.92 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -140.12 144.69 36.87 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -177.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -101.79 116.69 33.27 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.033 -176.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 44.7 t -97.96 128.85 48.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 77.8 m -122.06 114.78 21.4 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-O 120.953 0.406 . . . . 0.0 110.394 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -118.02 116.93 27.88 Favored 'General case' 0 N--CA 1.423 -1.775 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 63.29 21.18 12.69 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.541 0.736 . . . . 0.0 111.079 176.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.63 -10.98 53.53 Favored Glycine 0 N--CA 1.432 -1.619 0 CA-C-N 115.333 -0.848 . . . . 0.0 112.396 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.4 mm -89.06 105.06 15.52 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 CA-C-O 121.367 0.604 . . . . 0.0 109.721 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 93.3 m -98.65 128.22 44.86 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 114.717 -1.128 . . . . 0.0 110.787 -178.137 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -137.57 145.17 42.53 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 174.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -107.64 128.25 54.38 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-O 121.084 0.469 . . . . 0.0 111.308 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 73.2 mmtt -104.18 146.61 28.52 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.1 m -128.34 119.7 25.59 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.006 0.431 . . . . 0.0 110.416 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -119.38 96.39 5.19 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 177.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.165 0 N-CA-C 109.936 -1.265 . . . . 0.0 109.936 -176.536 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 . . . . . 0 C--O 1.234 0.265 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 22.5 t90 -104.09 114.14 28.17 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.854 -170.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.6 m -109.91 119.77 40.39 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.252 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -129.49 156.5 44.02 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -109.04 121.86 46.04 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 59.3 t -104.73 132.69 50.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 177.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.4 m -119.8 117.05 27.16 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 120.795 0.331 . . . . 0.0 110.136 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -135.44 127.67 30.09 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 64.66 13.93 8.68 Favored 'General case' 0 CA--C 1.565 1.555 0 CA-C-O 121.918 0.866 . . . . 0.0 111.461 174.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.4 -1.14 53.62 Favored Glycine 0 N--CA 1.44 -1.085 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.115 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.6 mm -101.81 111.15 30.57 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.296 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 98.0 m -105.27 119.62 39.51 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.614 178.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -124.53 143.41 50.69 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.513 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -91.12 116.75 29.05 Favored 'General case' 0 N--CA 1.427 -1.61 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -111.32 120.9 43.78 Favored 'General case' 0 C--N 1.273 -2.755 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.314 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.9 m -111.02 119.94 40.71 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 120.956 0.408 . . . . 0.0 111.051 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -125.78 118.26 25.16 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 176.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.093 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -178.814 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 120.76 0.314 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.4 t-105 -77.07 112.11 13.37 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 62.7 m -109.68 119.96 41.0 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.644 -176.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -111.72 149.15 32.04 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.285 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -100.36 108.74 20.84 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.541 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 48.8 t -92.02 123.77 44.26 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 82.6 m -118.96 121.27 39.54 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.145 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -138.85 128.8 25.16 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 62.76 21.86 13.02 Favored 'General case' 0 CA--C 1.563 1.465 0 CA-C-O 122.719 1.247 . . . . 0.0 109.818 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.68 -13.24 66.68 Favored Glycine 0 N--CA 1.439 -1.15 0 CA-C-N 114.599 -1.182 . . . . 0.0 112.461 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.504 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 51.1 mm -88.58 116.79 30.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 120.779 0.323 . . . . 0.0 110.355 -176.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 74.6 m -106.85 134.59 49.77 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.244 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -140.98 164.98 28.81 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -116.0 114.44 24.6 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 120.52 0.2 . . . . 0.0 111.212 -174.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -111.04 147.29 35.1 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 55.7 m -123.83 119.67 30.38 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 120.867 0.365 . . . . 0.0 110.908 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -94.82 93.16 7.32 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 104.595 -2.372 . . . . 0.0 104.595 173.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.111 0 N-CA-C 107.846 -2.102 . . . . 0.0 107.846 -169.896 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 . . . . . 0 CA--C 1.52 -0.202 0 CA-C-O 120.668 0.27 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 22.4 t90 -104.98 117.94 35.27 Favored 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 120.271 -0.572 . . . . 0.0 111.977 -174.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.2 m -116.7 129.17 55.97 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.574 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -133.06 139.54 47.23 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -101.23 112.94 25.58 Favored 'General case' 0 C--N 1.308 -1.228 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.244 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.7 t -100.31 128.6 52.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.536 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 79.1 m -117.24 116.53 27.43 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -132.13 122.67 25.72 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 63.59 23.8 13.73 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.995 0.518 . . . . 0.0 110.174 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.15 -12.8 68.56 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.345 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.536 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 43.3 mm -81.86 103.8 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.4 m -100.62 119.36 38.44 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.976 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -132.96 143.34 49.4 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -99.34 113.1 25.23 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-O 121.41 0.624 . . . . 0.0 109.375 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -99.28 133.24 43.86 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 -177.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.3 m -125.1 136.84 54.03 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.304 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -130.31 99.84 5.17 Favored 'General case' 0 N--CA 1.427 -1.592 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 172.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.088 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.427 -179.485 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 . . . . . 0 C--O 1.243 0.758 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.9 t90 -95.84 113.31 24.93 Favored 'General case' 0 N--CA 1.431 -1.399 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.686 -174.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.6 m -109.86 121.59 45.59 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.442 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -128.55 140.52 51.75 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.224 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -103.11 117.59 34.89 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 50.7 t -105.73 131.01 56.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 68.2 m -119.53 127.47 53.04 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -139.0 128.8 24.84 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 61.25 18.0 8.76 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.903 0.881 . . . . 0.0 111.431 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.69 -6.82 60.86 Favored Glycine 0 N--CA 1.432 -1.604 0 C-N-CA 121.302 -0.475 . . . . 0.0 112.19 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.489 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 51.8 mm -93.04 113.1 27.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.015 0.436 . . . . 0.0 109.931 -179.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 98.6 m -105.11 122.28 45.57 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.197 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -127.56 138.53 52.91 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -94.08 126.77 39.5 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -110.48 111.3 22.46 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.2 m -102.96 119.24 38.49 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -126.54 111.47 14.41 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 107.734 -1.209 . . . . 0.0 107.734 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.749 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.115 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 . . . . . 0 N--CA 1.445 -0.691 0 CA-C-O 120.88 0.371 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 -82.88 103.37 12.3 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.147 0.498 . . . . 0.0 111.209 -173.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.9 m -109.7 134.93 51.42 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.003 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -139.97 141.99 36.36 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.912 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -80.03 120.83 24.73 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.651 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.4 t -107.94 113.28 43.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 64.9 m -112.76 128.06 56.32 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.734 177.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -144.14 135.48 25.65 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 175.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 64.92 13.32 8.5 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.587 0.755 . . . . 0.0 110.622 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.13 -9.85 63.5 Favored Glycine 0 N--CA 1.438 -1.195 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.911 -176.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 46.8 mm -91.91 124.08 44.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -177.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.0 m -112.16 123.02 49.36 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.934 -177.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -133.06 149.61 52.16 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -100.69 128.26 46.8 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-O 120.569 0.223 . . . . 0.0 110.849 -177.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -110.17 133.09 53.58 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 94.2 m -118.12 119.51 34.97 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.207 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -104.15 89.44 3.27 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 174.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.331 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -175.17 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 . . . . . 0 N--CA 1.444 -0.736 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 16.1 t-105 -110.28 125.31 53.0 Favored 'General case' 0 N--CA 1.437 -1.1 0 C-N-CA 120.464 -0.495 . . . . 0.0 111.04 -173.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.8 m -109.55 119.55 39.75 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 174.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 15' ' ' LYS . 33.9 p90 -123.16 137.49 54.89 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.652 -176.09 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -97.25 131.91 43.51 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.874 178.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.9 t -125.36 127.58 72.03 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 71.4 m -117.72 119.92 36.4 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -145.38 136.84 25.15 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 63.97 18.09 10.99 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 121.784 0.802 . . . . 0.0 110.722 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.16 13.72 63.55 Favored Glycine 0 N--CA 1.438 -1.204 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.959 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.507 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 48.6 mm -113.93 119.28 60.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.2 m -109.85 126.11 53.48 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.132 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -143.03 161.29 38.53 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 14' ' ' ARG . 45.7 ttm180 -129.19 128.36 43.21 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 4' ' ' PHE . 13.8 mmmm -110.14 136.56 49.18 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.4 m -111.31 119.09 37.72 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 174.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -131.59 122.57 26.28 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.038 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -178.314 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 . . . . . 0 N--CA 1.451 -0.403 0 CA-C-O 121.09 0.472 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.423 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 17.3 t-105 -89.15 108.87 19.84 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.4 m -120.95 119.43 32.56 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.183 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.424 ' CE2' ' HB2' ' A' ' 15' ' ' LYS . 27.9 p90 -121.55 140.62 51.98 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -100.53 126.82 47.01 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.49 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -114.96 122.9 70.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 177.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 78.6 m -114.1 118.08 33.04 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 177.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -134.97 127.53 30.71 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? 60.75 19.82 9.91 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.321 0.582 . . . . 0.0 111.212 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.14 -11.16 60.28 Favored Glycine 0 N--CA 1.444 -0.829 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.459 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 47.7 mm -90.41 116.9 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.949 0 O-C-N 122.543 -0.386 . . . . 0.0 110.123 -178.037 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 97.3 m -109.61 111.6 23.19 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.687 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -120.24 158.83 26.18 Favored 'General case' 0 C--N 1.279 -2.467 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -127.18 122.67 34.74 Favored 'General case' 0 C--N 1.286 -2.157 0 C-N-CA 120.596 -0.442 . . . . 0.0 109.872 -176.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . 32.2 mmmt -97.87 125.22 42.64 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 2' ' ' TRP . 89.8 m -115.43 119.71 37.14 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-O 121.431 0.634 . . . . 0.0 112.187 -178.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -115.07 97.38 6.18 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 174.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.81 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 -176.932 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 23.4 t90 -62.19 114.99 3.76 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 123.399 0.68 . . . . 0.0 109.822 176.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.9 m -109.89 130.68 55.5 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.043 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -135.06 153.9 51.88 Favored 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.45 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -96.96 122.79 40.33 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 37.2 t -107.08 126.44 63.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 73.6 m -118.15 120.49 37.88 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -143.02 132.95 24.14 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 62.32 10.93 4.17 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.678 0.791 . . . . 0.0 112.56 178.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.17 -3.56 47.84 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 -177.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 46.5 mm -98.73 109.31 23.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.239 0 CA-C-O 121.144 0.497 . . . . 0.0 110.079 -178.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 82.8 m -103.96 115.65 30.84 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.544 178.178 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -125.77 150.64 47.6 Favored 'General case' 0 C--N 1.291 -1.972 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.162 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -90.29 110.38 21.44 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -110.07 128.72 55.59 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.8 m -113.99 128.15 56.26 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 120.911 0.386 . . . . 0.0 110.202 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -130.32 111.35 12.28 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 177.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.328 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.202 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 23.5 t-105 -96.63 120.67 37.39 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.578 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 78.7 m -109.55 129.14 55.59 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.326 178.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -129.22 140.07 51.61 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.135 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -99.01 119.71 38.24 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.595 -178.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.9 t -112.86 138.87 40.66 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 71.8 m -122.15 125.93 47.21 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -131.68 117.24 18.39 Favored 'General case' 0 N--CA 1.427 -1.625 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 61.48 19.64 10.49 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.913 0.885 . . . . 0.0 112.545 177.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.94 -13.44 37.9 Favored Glycine 0 N--CA 1.437 -1.242 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.058 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 51.3 mm -88.42 110.89 21.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 89.9 m -107.55 120.13 41.34 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.484 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -127.8 143.69 51.12 Favored 'General case' 0 C--N 1.293 -1.887 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.045 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -98.82 110.88 23.41 Favored 'General case' 0 N--CA 1.426 -1.673 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 175.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -98.23 118.97 36.06 Favored 'General case' 0 C--N 1.278 -2.537 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 -176.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.0 m -102.48 119.23 38.46 Favored 'General case' 0 C--N 1.289 -2.026 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.982 178.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -116.7 102.5 9.48 Favored 'General case' 0 N--CA 1.426 -1.659 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.955 0 N-CA-C 108.639 -1.784 . . . . 0.0 108.639 -174.161 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 . . . . . 0 CA--C 1.516 -0.363 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -104.36 122.92 46.47 Favored 'General case' 0 N--CA 1.437 -1.112 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 -176.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.7 m -112.47 127.94 56.19 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 121.092 0.473 . . . . 0.0 110.581 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -128.46 160.45 32.25 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.176 -178.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -110.31 118.22 35.74 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 40.0 t -104.76 127.63 59.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 177.132 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 70.8 m -119.78 111.88 18.55 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 178.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -125.53 125.02 42.56 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 60.93 18.46 8.84 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.205 1.002 . . . . 0.0 112.38 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.0 -10.44 48.01 Favored Glycine 0 N--CA 1.441 -1.025 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.63 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 45.6 mm -94.14 112.51 27.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.131 0.491 . . . . 0.0 110.499 -179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 72.9 m -104.5 138.35 41.0 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.165 179.273 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -141.15 149.09 41.04 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.319 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -94.45 102.85 14.82 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -100.08 127.01 46.38 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -176.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m -112.23 119.73 39.35 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-O 121.463 0.649 . . . . 0.0 110.809 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -111.28 100.82 9.37 Favored 'General case' 0 N--CA 1.425 -1.687 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.339 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -178.732 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 . . . . . 0 N--CA 1.451 -0.398 0 N-CA-C 111.52 0.193 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 19.5 t90 -107.98 119.94 40.9 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 119.655 -0.818 . . . . 0.0 112.111 -174.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 86.7 m -109.69 119.62 39.96 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 174.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -123.58 146.33 48.23 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.942 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -107.25 123.54 48.45 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 62.0 t -108.58 128.37 64.28 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.065 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 79.2 m -119.52 110.02 16.4 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 123.458 0.474 . . . . 0.0 109.743 178.235 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -120.69 113.49 20.29 Favored 'General case' 0 N--CA 1.427 -1.594 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 62.69 19.53 11.43 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.314 1.046 . . . . 0.0 111.61 177.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.21 -9.55 33.48 Favored Glycine 0 N--CA 1.438 -1.201 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.693 -178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 47.6 mm -91.87 104.83 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.048 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 95.6 m -102.65 121.99 43.52 Favored 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.84 179.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -131.13 143.78 50.9 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -104.91 116.48 32.05 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -110.22 123.23 49.41 Favored 'General case' 0 N--CA 1.411 -2.424 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.537 -176.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.1 m -110.09 119.97 40.97 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.785 -178.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -115.64 92.21 3.84 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.098 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.789 -179.864 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 . . . . . 0 C--O 1.237 0.413 0 CA-C-O 121.529 0.68 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -99.24 111.79 24.09 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.765 -178.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.1 m -110.74 122.4 47.72 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -128.13 145.75 50.91 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -111.33 129.67 55.92 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 41.9 t -117.91 141.73 35.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 76.2 m -125.01 128.92 49.3 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 178.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -134.44 114.9 13.37 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? 58.51 29.07 17.86 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 124.259 1.024 . . . . 0.0 112.177 174.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.19 -6.51 42.85 Favored Glycine 0 N--CA 1.434 -1.493 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.856 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 46.1 mm -99.77 110.65 27.38 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 CA-C-N 117.077 0.439 . . . . 0.0 110.11 178.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 95.4 m -108.79 121.15 44.46 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.218 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.5 p90 -130.49 147.93 52.24 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -112.67 128.05 56.29 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -110.46 127.48 55.16 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 176.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.5 m -103.01 118.46 36.86 Favored 'General case' 0 N--CA 1.415 -2.202 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 174.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -115.42 99.26 7.24 Favored 'General case' 0 C--N 1.282 -2.345 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -178.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.263 0 N-CA-C 109.385 -1.486 . . . . 0.0 109.385 -174.361 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 . . . . . 0 N--CA 1.442 -0.866 0 CA-C-O 121.561 0.696 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 -94.2 115.72 28.02 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.3 m -109.7 127.14 54.39 Favored 'General case' 0 C--N 1.284 -2.264 0 CA-C-O 121.189 0.519 . . . . 0.0 110.837 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -125.04 142.78 51.27 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.122 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -95.62 114.2 25.93 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -175.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.8 t -100.65 128.85 52.33 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 83.4 m -127.41 109.92 12.25 Favored 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 178.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -113.48 118.04 33.38 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 64.78 15.03 9.56 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.487 0.715 . . . . 0.0 110.627 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.16 -11.48 40.38 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 116.31 -0.405 . . . . 0.0 112.11 -176.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.54 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 51.3 mm -84.47 103.94 12.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.4 m -97.77 130.44 44.72 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.717 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -141.23 145.61 35.81 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.275 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -90.58 119.42 30.82 Favored 'General case' 0 C--N 1.288 -2.069 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -103.84 108.85 20.35 Favored 'General case' 0 C--N 1.287 -2.15 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 -178.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.0 m -101.81 119.94 39.58 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.39 0.614 . . . . 0.0 111.163 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -114.74 107.14 15.06 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 178.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.383 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -175.511 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 . . . . . 0 N--CA 1.445 -0.713 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.2 t90 -102.32 117.28 34.41 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.703 -176.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.3 m -109.89 119.92 40.86 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.141 0.496 . . . . 0.0 109.848 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -129.18 155.05 46.13 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.45 -176.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -107.27 128.63 54.61 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.1 t -111.6 133.03 58.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.553 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 73.8 m -121.0 124.91 46.03 Favored 'General case' 0 C--N 1.289 -2.047 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 175.043 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -129.93 113.05 14.13 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 63.03 20.89 12.58 Favored 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 122.262 1.029 . . . . 0.0 110.38 178.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.99 -19.01 30.71 Favored Glycine 0 N--CA 1.437 -1.299 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.688 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.553 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 50.7 mm -80.46 111.52 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.812 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 87.0 m -107.92 131.84 54.1 Favored 'General case' 0 C--N 1.291 -1.975 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.347 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -144.06 140.09 29.32 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.77 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -91.42 111.25 22.67 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 176.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -106.16 133.18 51.27 Favored 'General case' 0 C--N 1.283 -2.313 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.8 m -107.63 132.49 53.25 Favored 'General case' 0 C--N 1.287 -2.118 0 C-N-CA 120.447 -0.501 . . . . 0.0 109.881 177.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -124.1 94.78 4.32 Favored 'General case' 0 N--CA 1.417 -2.107 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.324 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.345 -179.574 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 121.352 0.596 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 -110.11 130.73 55.49 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.26 -177.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.0 m -119.72 136.98 54.2 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.007 178.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -129.28 152.59 48.68 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -107.79 113.15 26.19 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-O 121.015 0.436 . . . . 0.0 110.409 -175.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 60.5 t -90.69 115.63 30.35 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.946 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.9 m -114.62 122.01 45.19 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -125.5 113.31 17.3 Favored 'General case' 0 N--CA 1.417 -2.094 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 60.95 26.29 16.23 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.016 0.926 . . . . 0.0 111.13 178.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.46 -15.73 53.22 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.374 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.7 mm -87.03 103.42 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.025 0 CA-C-O 121.538 0.685 . . . . 0.0 109.492 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 72.3 m -102.23 135.48 43.75 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 114.396 -1.275 . . . . 0.0 111.439 -178.087 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -141.74 150.44 41.8 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 123.553 0.741 . . . . 0.0 109.045 174.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -99.4 122.56 42.69 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-O 121.155 0.502 . . . . 0.0 111.528 -175.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -110.15 134.68 51.95 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 174.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.2 m -119.58 134.74 55.09 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.451 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -130.55 109.55 10.76 Favored 'General case' 0 N--CA 1.421 -1.919 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 175.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.629 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 -178.609 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.6 t90 . . . . . 0 N--CA 1.445 -0.713 0 CA-C-O 121.115 0.484 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 71.9 m -109.87 125.3 52.64 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 115.222 -0.899 . . . . 0.0 108.957 177.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -131.84 145.12 51.37 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.771 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -97.33 118.28 33.45 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.764 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.9 t -101.56 123.18 54.52 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 N-CA-C 107.869 -1.159 . . . . 0.0 107.869 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 82.3 m -114.34 127.57 55.92 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -140.22 125.33 18.61 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 59.74 22.27 11.09 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-O 121.846 0.831 . . . . 0.0 111.308 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.14 -9.87 54.66 Favored Glycine 0 N--CA 1.441 -0.994 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.803 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.437 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 45.1 mm -97.93 115.48 38.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 116.94 0.37 . . . . 0.0 110.673 -179.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.6 m -106.94 131.57 53.87 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.193 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -140.08 147.53 40.42 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -101.91 128.41 48.33 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 120.622 0.248 . . . . 0.0 110.694 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 73.3 mmtt -111.11 149.04 31.4 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.2 m . . . . . 0 C--N 1.306 -1.304 0 CA-C-O 121.063 0.459 . . . . 0.0 110.527 179.172 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 . . . . . 0 N--CA 1.437 -1.096 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 72.9 m -109.94 131.48 55.02 Favored 'General case' 0 C--N 1.288 -2.086 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.013 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -120.73 144.45 48.25 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.554 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -102.16 123.3 45.77 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.872 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.7 t -109.78 130.68 62.48 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 73.5 m -123.74 131.84 53.68 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-O 120.774 0.321 . . . . 0.0 111.071 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -151.94 131.22 12.81 Favored 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 64.52 16.15 10.07 Favored 'General case' 0 CA--C 1.564 1.487 0 CA-C-O 121.913 0.863 . . . . 0.0 111.091 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.88 1.47 70.44 Favored Glycine 0 C--N 1.311 -0.85 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.345 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 50.5 mm -99.05 114.99 38.53 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 91.9 m -111.22 122.08 46.94 Favored 'General case' 0 C--N 1.284 -2.281 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.028 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -128.21 144.95 51.16 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -108.7 127.79 54.29 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -110.63 134.19 52.65 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 93.6 m . . . . . 0 C--N 1.287 -2.147 0 CA-C-O 121.414 0.626 . . . . 0.0 111.644 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 79.4 m -113.44 132.17 55.74 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -128.36 130.22 47.41 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-O 121.345 0.593 . . . . 0.0 111.193 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -87.86 122.56 31.65 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.92 -1.037 . . . . 0.0 109.557 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -115.63 131.51 67.8 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 84.7 m -124.59 124.96 43.37 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -132.98 120.99 22.13 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 56.94 25.11 10.19 Favored 'General case' 0 CA--C 1.561 1.372 0 C-N-CA 124.296 1.038 . . . . 0.0 111.17 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.57 -14.99 50.05 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.934 -0.651 . . . . 0.0 113.133 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 50.6 mm -88.25 107.78 17.94 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 O-C-N 122.303 -0.528 . . . . 0.0 110.273 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 89.4 m -102.3 127.2 49.38 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.385 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -132.89 156.53 47.05 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.495 176.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -111.89 122.19 47.09 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -177.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 30.0 mmtp -108.48 124.57 50.64 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 175.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.5 m . . . . . 0 C--N 1.294 -1.842 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.325 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.3 t-105 . . . . . 0 N--CA 1.435 -1.201 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.9 m -111.94 126.55 55.25 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.59 -178.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -125.71 160.54 29.47 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.222 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -105.13 131.34 52.74 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.382 -176.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.3 t -120.59 132.98 68.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 175.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 72.9 m -125.55 138.05 53.95 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 120.456 0.17 . . . . 0.0 111.014 -177.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -146.6 125.61 12.83 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 173.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? 64.41 10.83 6.03 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 123.907 0.883 . . . . 0.0 112.057 178.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.54 -11.03 30.56 Favored Glycine 0 N--CA 1.437 -1.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.846 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 41.8 mm -90.68 113.53 26.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-O 120.898 0.38 . . . . 0.0 110.045 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.2 m -107.92 122.77 47.49 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.92 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -120.92 158.04 28.55 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.362 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -103.36 117.83 35.38 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -174.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -103.91 119.63 39.33 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.7 m . . . . . 0 C--N 1.294 -1.846 0 CA-C-O 121.258 0.551 . . . . 0.0 111.254 -179.129 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 21.4 t-105 . . . . . 0 N--CA 1.433 -1.316 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 79.3 m -109.39 132.66 53.92 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -140.12 144.69 36.87 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -177.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -101.79 116.69 33.27 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.033 -176.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 44.7 t -97.96 128.85 48.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 77.8 m -122.06 114.78 21.4 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-O 120.953 0.406 . . . . 0.0 110.394 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -118.02 116.93 27.88 Favored 'General case' 0 N--CA 1.423 -1.775 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 63.29 21.18 12.69 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.541 0.736 . . . . 0.0 111.079 176.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.63 -10.98 53.53 Favored Glycine 0 N--CA 1.432 -1.619 0 CA-C-N 115.333 -0.848 . . . . 0.0 112.396 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.4 mm -89.06 105.06 15.52 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 CA-C-O 121.367 0.604 . . . . 0.0 109.721 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 93.3 m -98.65 128.22 44.86 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 114.717 -1.128 . . . . 0.0 110.787 -178.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -137.57 145.17 42.53 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 174.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -107.64 128.25 54.38 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-O 121.084 0.469 . . . . 0.0 111.308 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 73.2 mmtt -104.18 146.61 28.52 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.1 m . . . . . 0 C--N 1.302 -1.487 0 CA-C-O 121.006 0.431 . . . . 0.0 110.416 178.902 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 22.5 t90 . . . . . 0 N--CA 1.437 -1.099 0 CA-C-O 121.049 0.452 . . . . 0.0 111.854 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.6 m -109.91 119.77 40.39 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.252 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -129.49 156.5 44.02 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -109.04 121.86 46.04 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 59.3 t -104.73 132.69 50.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 177.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.4 m -119.8 117.05 27.16 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 120.795 0.331 . . . . 0.0 110.136 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -135.44 127.67 30.09 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 64.66 13.93 8.68 Favored 'General case' 0 CA--C 1.565 1.555 0 CA-C-O 121.918 0.866 . . . . 0.0 111.461 174.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.4 -1.14 53.62 Favored Glycine 0 N--CA 1.44 -1.085 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.115 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.6 mm -101.81 111.15 30.57 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.296 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 98.0 m -105.27 119.62 39.51 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.614 178.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -124.53 143.41 50.69 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.513 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -91.12 116.75 29.05 Favored 'General case' 0 N--CA 1.427 -1.61 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -111.32 120.9 43.78 Favored 'General case' 0 C--N 1.273 -2.755 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.314 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.9 m . . . . . 0 C--N 1.297 -1.711 0 CA-C-O 120.956 0.408 . . . . 0.0 111.051 179.63 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.4 t-105 . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 62.7 m -109.68 119.96 41.0 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.644 -176.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -111.72 149.15 32.04 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.285 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -100.36 108.74 20.84 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.541 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 48.8 t -92.02 123.77 44.26 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 82.6 m -118.96 121.27 39.54 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -138.85 128.8 25.16 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 62.76 21.86 13.02 Favored 'General case' 0 CA--C 1.563 1.465 0 CA-C-O 122.719 1.247 . . . . 0.0 109.818 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.68 -13.24 66.68 Favored Glycine 0 N--CA 1.439 -1.15 0 CA-C-N 114.599 -1.182 . . . . 0.0 112.461 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.504 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 51.1 mm -88.58 116.79 30.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 120.779 0.323 . . . . 0.0 110.355 -176.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 74.6 m -106.85 134.59 49.77 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.244 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -140.98 164.98 28.81 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -116.0 114.44 24.6 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 120.52 0.2 . . . . 0.0 111.212 -174.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -111.04 147.29 35.1 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 55.7 m . . . . . 0 C--N 1.302 -1.492 0 CA-C-O 120.867 0.365 . . . . 0.0 110.908 -179.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 22.4 t90 . . . . . 0 N--CA 1.439 -1.0 0 CA-C-O 121.187 0.517 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.2 m -116.7 129.17 55.97 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.574 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -133.06 139.54 47.23 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -101.23 112.94 25.58 Favored 'General case' 0 C--N 1.308 -1.228 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.244 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.7 t -100.31 128.6 52.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.536 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 79.1 m -117.24 116.53 27.43 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -132.13 122.67 25.72 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 63.59 23.8 13.73 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.995 0.518 . . . . 0.0 110.174 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.15 -12.8 68.56 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.345 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.536 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 43.3 mm -81.86 103.8 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.4 m -100.62 119.36 38.44 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.976 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -132.96 143.34 49.4 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -99.34 113.1 25.23 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-O 121.41 0.624 . . . . 0.0 109.375 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -99.28 133.24 43.86 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 -177.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 C--N 1.298 -1.673 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.304 -178.263 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.9 t90 . . . . . 0 N--CA 1.431 -1.399 0 CA-C-O 120.946 0.403 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.6 m -109.86 121.59 45.59 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.442 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -128.55 140.52 51.75 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.224 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -103.11 117.59 34.89 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 50.7 t -105.73 131.01 56.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 68.2 m -119.53 127.47 53.04 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -139.0 128.8 24.84 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 61.25 18.0 8.76 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.903 0.881 . . . . 0.0 111.431 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.69 -6.82 60.86 Favored Glycine 0 N--CA 1.432 -1.604 0 C-N-CA 121.302 -0.475 . . . . 0.0 112.19 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.489 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 51.8 mm -93.04 113.1 27.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.015 0.436 . . . . 0.0 109.931 -179.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 98.6 m -105.11 122.28 45.57 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.197 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -127.56 138.53 52.91 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -94.08 126.77 39.5 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -110.48 111.3 22.46 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.2 m . . . . . 0 C--N 1.285 -2.202 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 175.092 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 . . . . . 0 CA--C 1.536 0.429 0 CA-C-O 121.147 0.498 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.9 m -109.7 134.93 51.42 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.003 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -139.97 141.99 36.36 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.912 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -80.03 120.83 24.73 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.651 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.4 t -107.94 113.28 43.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 64.9 m -112.76 128.06 56.32 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.734 177.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -144.14 135.48 25.65 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 175.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 64.92 13.32 8.5 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.587 0.755 . . . . 0.0 110.622 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.13 -9.85 63.5 Favored Glycine 0 N--CA 1.438 -1.195 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.911 -176.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 46.8 mm -91.91 124.08 44.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -177.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.0 m -112.16 123.02 49.36 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.934 -177.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -133.06 149.61 52.16 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -100.69 128.26 46.8 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-O 120.569 0.223 . . . . 0.0 110.849 -177.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -110.17 133.09 53.58 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 94.2 m . . . . . 0 C--N 1.292 -1.893 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.207 -178.779 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 16.1 t-105 . . . . . 0 N--CA 1.437 -1.1 0 CA-C-O 120.924 0.392 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.8 m -109.55 119.55 39.75 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 174.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 15' ' ' LYS . 33.9 p90 -123.16 137.49 54.89 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.652 -176.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -97.25 131.91 43.51 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.874 178.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.9 t -125.36 127.58 72.03 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 71.4 m -117.72 119.92 36.4 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -145.38 136.84 25.15 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 63.97 18.09 10.99 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 121.784 0.802 . . . . 0.0 110.722 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.16 13.72 63.55 Favored Glycine 0 N--CA 1.438 -1.204 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.959 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.507 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 48.6 mm -113.93 119.28 60.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.2 m -109.85 126.11 53.48 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.132 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -143.03 161.29 38.53 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 14' ' ' ARG . 45.7 ttm180 -129.19 128.36 43.21 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 4' ' ' PHE . 13.8 mmmm -110.14 136.56 49.18 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.4 m . . . . . 0 C--N 1.286 -2.154 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 174.639 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.423 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 17.3 t-105 . . . . . 0 N--CA 1.44 -0.938 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.4 m -120.95 119.43 32.56 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.183 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.424 ' CE2' ' HB2' ' A' ' 15' ' ' LYS . 27.9 p90 -121.55 140.62 51.98 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -100.53 126.82 47.01 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.49 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -114.96 122.9 70.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 177.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 78.6 m -114.1 118.08 33.04 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 177.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -134.97 127.53 30.71 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? 60.75 19.82 9.91 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.321 0.582 . . . . 0.0 111.212 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.14 -11.16 60.28 Favored Glycine 0 N--CA 1.444 -0.829 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.459 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 47.7 mm -90.41 116.9 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.949 0 O-C-N 122.543 -0.386 . . . . 0.0 110.123 -178.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 97.3 m -109.61 111.6 23.19 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.687 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -120.24 158.83 26.18 Favored 'General case' 0 C--N 1.279 -2.467 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -127.18 122.67 34.74 Favored 'General case' 0 C--N 1.286 -2.157 0 C-N-CA 120.596 -0.442 . . . . 0.0 109.872 -176.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.424 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . 32.2 mmmt -97.87 125.22 42.64 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 2' ' ' TRP . 89.8 m . . . . . 0 C--N 1.295 -1.793 0 CA-C-O 121.431 0.634 . . . . 0.0 112.187 -178.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 23.4 t90 . . . . . 0 N--CA 1.442 -0.863 0 CA-C-O 121.248 0.546 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.9 m -109.89 130.68 55.5 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.043 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -135.06 153.9 51.88 Favored 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.45 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -96.96 122.79 40.33 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 37.2 t -107.08 126.44 63.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 73.6 m -118.15 120.49 37.88 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -143.02 132.95 24.14 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 62.32 10.93 4.17 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.678 0.791 . . . . 0.0 112.56 178.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.17 -3.56 47.84 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 -177.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 46.5 mm -98.73 109.31 23.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.239 0 CA-C-O 121.144 0.497 . . . . 0.0 110.079 -178.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 82.8 m -103.96 115.65 30.84 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.544 178.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -125.77 150.64 47.6 Favored 'General case' 0 C--N 1.291 -1.972 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.162 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -90.29 110.38 21.44 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -110.07 128.72 55.59 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.8 m . . . . . 0 C--N 1.303 -1.446 0 CA-C-O 120.911 0.386 . . . . 0.0 110.202 179.841 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 23.5 t-105 . . . . . 0 N--CA 1.441 -0.917 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 78.7 m -109.55 129.14 55.59 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.326 178.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -129.22 140.07 51.61 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.135 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -99.01 119.71 38.24 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.595 -178.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.9 t -112.86 138.87 40.66 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 71.8 m -122.15 125.93 47.21 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -131.68 117.24 18.39 Favored 'General case' 0 N--CA 1.427 -1.625 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 61.48 19.64 10.49 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.913 0.885 . . . . 0.0 112.545 177.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.94 -13.44 37.9 Favored Glycine 0 N--CA 1.437 -1.242 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.058 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 51.3 mm -88.42 110.89 21.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 89.9 m -107.55 120.13 41.34 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.484 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -127.8 143.69 51.12 Favored 'General case' 0 C--N 1.293 -1.887 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.045 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -98.82 110.88 23.41 Favored 'General case' 0 N--CA 1.426 -1.673 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 175.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -98.23 118.97 36.06 Favored 'General case' 0 C--N 1.278 -2.537 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 -176.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.0 m . . . . . 0 C--N 1.289 -2.026 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.982 178.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 . . . . . 0 N--CA 1.437 -1.112 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.7 m -112.47 127.94 56.19 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 121.092 0.473 . . . . 0.0 110.581 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -128.46 160.45 32.25 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.176 -178.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -110.31 118.22 35.74 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 40.0 t -104.76 127.63 59.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 177.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 70.8 m -119.78 111.88 18.55 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 178.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -125.53 125.02 42.56 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 60.93 18.46 8.84 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.205 1.002 . . . . 0.0 112.38 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.0 -10.44 48.01 Favored Glycine 0 N--CA 1.441 -1.025 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.63 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 45.6 mm -94.14 112.51 27.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.131 0.491 . . . . 0.0 110.499 -179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 72.9 m -104.5 138.35 41.0 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.165 179.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -141.15 149.09 41.04 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.319 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -94.45 102.85 14.82 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -100.08 127.01 46.38 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -176.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m . . . . . 0 C--N 1.297 -1.706 0 CA-C-O 121.463 0.649 . . . . 0.0 110.809 -179.482 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 19.5 t90 . . . . . 0 CA--C 1.506 -0.717 0 CA-C-O 121.08 0.466 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 86.7 m -109.69 119.62 39.96 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 174.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -123.58 146.33 48.23 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.942 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -107.25 123.54 48.45 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 62.0 t -108.58 128.37 64.28 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.065 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 79.2 m -119.52 110.02 16.4 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 123.458 0.474 . . . . 0.0 109.743 178.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -120.69 113.49 20.29 Favored 'General case' 0 N--CA 1.427 -1.594 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 62.69 19.53 11.43 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.314 1.046 . . . . 0.0 111.61 177.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.21 -9.55 33.48 Favored Glycine 0 N--CA 1.438 -1.201 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.693 -178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 47.6 mm -91.87 104.83 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.048 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 95.6 m -102.65 121.99 43.52 Favored 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.84 179.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -131.13 143.78 50.9 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -104.91 116.48 32.05 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -110.22 123.23 49.41 Favored 'General case' 0 N--CA 1.411 -2.424 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.537 -176.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.1 m . . . . . 0 C--N 1.297 -1.689 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.785 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 23.2 t90 . . . . . 0 N--CA 1.437 -1.1 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.1 m -110.74 122.4 47.72 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -128.13 145.75 50.91 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -111.33 129.67 55.92 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 41.9 t -117.91 141.73 35.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 76.2 m -125.01 128.92 49.3 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 178.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -134.44 114.9 13.37 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? 58.51 29.07 17.86 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 124.259 1.024 . . . . 0.0 112.177 174.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.19 -6.51 42.85 Favored Glycine 0 N--CA 1.434 -1.493 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.856 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 46.1 mm -99.77 110.65 27.38 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 CA-C-N 117.077 0.439 . . . . 0.0 110.11 178.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 95.4 m -108.79 121.15 44.46 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.218 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.5 p90 -130.49 147.93 52.24 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -112.67 128.05 56.29 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -110.46 127.48 55.16 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 176.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.5 m . . . . . 0 N--CA 1.415 -2.202 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 174.404 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 . . . . . 0 N--CA 1.432 -1.362 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.3 m -109.7 127.14 54.39 Favored 'General case' 0 C--N 1.284 -2.264 0 CA-C-O 121.189 0.519 . . . . 0.0 110.837 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -125.04 142.78 51.27 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.122 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -95.62 114.2 25.93 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -175.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.8 t -100.65 128.85 52.33 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 83.4 m -127.41 109.92 12.25 Favored 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 178.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -113.48 118.04 33.38 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 64.78 15.03 9.56 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.487 0.715 . . . . 0.0 110.627 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.16 -11.48 40.38 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 116.31 -0.405 . . . . 0.0 112.11 -176.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.54 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 51.3 mm -84.47 103.94 12.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.4 m -97.77 130.44 44.72 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.717 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -141.23 145.61 35.81 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.275 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -90.58 119.42 30.82 Favored 'General case' 0 C--N 1.288 -2.069 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -103.84 108.85 20.35 Favored 'General case' 0 C--N 1.287 -2.15 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 -178.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.0 m . . . . . 0 C--N 1.295 -1.799 0 CA-C-O 121.39 0.614 . . . . 0.0 111.163 -179.03 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.2 t90 . . . . . 0 N--CA 1.433 -1.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.3 m -109.89 119.92 40.86 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.141 0.496 . . . . 0.0 109.848 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -129.18 155.05 46.13 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.45 -176.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -107.27 128.63 54.61 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.1 t -111.6 133.03 58.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.553 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 73.8 m -121.0 124.91 46.03 Favored 'General case' 0 C--N 1.289 -2.047 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 175.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -129.93 113.05 14.13 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 63.03 20.89 12.58 Favored 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 122.262 1.029 . . . . 0.0 110.38 178.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.99 -19.01 30.71 Favored Glycine 0 N--CA 1.437 -1.299 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.688 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.553 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 50.7 mm -80.46 111.52 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.812 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 87.0 m -107.92 131.84 54.1 Favored 'General case' 0 C--N 1.291 -1.975 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.347 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -144.06 140.09 29.32 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.77 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -91.42 111.25 22.67 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 176.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -106.16 133.18 51.27 Favored 'General case' 0 C--N 1.283 -2.313 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.8 m . . . . . 0 C--N 1.287 -2.118 0 C-N-CA 120.447 -0.501 . . . . 0.0 109.881 177.363 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 . . . . . 0 N--CA 1.434 -1.26 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.0 m -119.72 136.98 54.2 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.007 178.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -129.28 152.59 48.68 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -107.79 113.15 26.19 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-O 121.015 0.436 . . . . 0.0 110.409 -175.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 60.5 t -90.69 115.63 30.35 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.946 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.9 m -114.62 122.01 45.19 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -125.5 113.31 17.3 Favored 'General case' 0 N--CA 1.417 -2.094 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 60.95 26.29 16.23 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.016 0.926 . . . . 0.0 111.13 178.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.46 -15.73 53.22 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.374 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.7 mm -87.03 103.42 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.025 0 CA-C-O 121.538 0.685 . . . . 0.0 109.492 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 72.3 m -102.23 135.48 43.75 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 114.396 -1.275 . . . . 0.0 111.439 -178.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -141.74 150.44 41.8 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 123.553 0.741 . . . . 0.0 109.045 174.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -99.4 122.56 42.69 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-O 121.155 0.502 . . . . 0.0 111.528 -175.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -110.15 134.68 51.95 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 174.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.2 m . . . . . 0 C--N 1.291 -1.94 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.451 -179.731 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 . . . . . 0 N--CA 1.45 -0.467 0 CA-C-O 121.203 0.525 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.6 t90 -69.95 111.3 5.56 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.559 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 71.9 m -109.87 125.3 52.64 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 115.222 -0.899 . . . . 0.0 108.957 177.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -131.84 145.12 51.37 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.771 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -97.33 118.28 33.45 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.764 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.9 t -101.56 123.18 54.52 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 N-CA-C 107.869 -1.159 . . . . 0.0 107.869 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 82.3 m -114.34 127.57 55.92 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -140.22 125.33 18.61 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 59.74 22.27 11.09 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-O 121.846 0.831 . . . . 0.0 111.308 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.14 -9.87 54.66 Favored Glycine 0 N--CA 1.441 -0.994 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.803 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.437 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 45.1 mm -97.93 115.48 38.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 116.94 0.37 . . . . 0.0 110.673 -179.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.6 m -106.94 131.57 53.87 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.193 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -140.08 147.53 40.42 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -101.91 128.41 48.33 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 120.622 0.248 . . . . 0.0 110.694 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 73.3 mmtt -111.11 149.04 31.4 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.2 m -128.22 123.25 33.76 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.063 0.459 . . . . 0.0 110.527 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -112.38 89.93 3.2 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.235 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.825 -178.825 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 . . . . . 0 C--O 1.24 0.553 0 CA-C-O 121.328 0.585 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 -86.42 107.59 18.11 Favored 'General case' 0 N--CA 1.437 -1.096 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 72.9 m -109.94 131.48 55.02 Favored 'General case' 0 C--N 1.288 -2.086 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.013 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -120.73 144.45 48.25 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.554 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -102.16 123.3 45.77 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.872 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.7 t -109.78 130.68 62.48 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 73.5 m -123.74 131.84 53.68 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-O 120.774 0.321 . . . . 0.0 111.071 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -151.94 131.22 12.81 Favored 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 64.52 16.15 10.07 Favored 'General case' 0 CA--C 1.564 1.487 0 CA-C-O 121.913 0.863 . . . . 0.0 111.091 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.88 1.47 70.44 Favored Glycine 0 C--N 1.311 -0.85 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.345 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 50.5 mm -99.05 114.99 38.53 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 91.9 m -111.22 122.08 46.94 Favored 'General case' 0 C--N 1.284 -2.281 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.028 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -128.21 144.95 51.16 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -108.7 127.79 54.29 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -110.63 134.19 52.65 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 93.6 m -109.36 130.07 55.51 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-O 121.414 0.626 . . . . 0.0 111.644 -178.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -121.69 94.38 4.3 Favored 'General case' 0 N--CA 1.42 -1.958 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 175.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.262 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 -173.451 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 . . . . . 0 N--CA 1.45 -0.443 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -62.8 121.93 14.68 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 79.4 m -113.44 132.17 55.74 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -128.36 130.22 47.41 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-O 121.345 0.593 . . . . 0.0 111.193 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -87.86 122.56 31.65 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.92 -1.037 . . . . 0.0 109.557 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -115.63 131.51 67.8 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 84.7 m -124.59 124.96 43.37 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -132.98 120.99 22.13 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 56.94 25.11 10.19 Favored 'General case' 0 CA--C 1.561 1.372 0 C-N-CA 124.296 1.038 . . . . 0.0 111.17 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.57 -14.99 50.05 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.934 -0.651 . . . . 0.0 113.133 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 50.6 mm -88.25 107.78 17.94 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 O-C-N 122.303 -0.528 . . . . 0.0 110.273 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 89.4 m -102.3 127.2 49.38 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.385 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -132.89 156.53 47.05 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.495 176.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -111.89 122.19 47.09 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -177.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 30.0 mmtp -108.48 124.57 50.64 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 175.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.5 m -114.6 118.82 34.77 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -116.86 101.99 9.01 Favored 'General case' 0 N--CA 1.423 -1.809 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.344 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -175.507 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 N--CA 1.441 -0.879 0 CA-C-O 120.824 0.345 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.3 t-105 -95.33 107.13 19.23 Favored 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.9 m -111.94 126.55 55.25 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.59 -178.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -125.71 160.54 29.47 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.222 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -105.13 131.34 52.74 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.382 -176.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.3 t -120.59 132.98 68.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 175.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 72.9 m -125.55 138.05 53.95 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 120.456 0.17 . . . . 0.0 111.014 -177.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -146.6 125.61 12.83 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 173.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? 64.41 10.83 6.03 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 123.907 0.883 . . . . 0.0 112.057 178.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.54 -11.03 30.56 Favored Glycine 0 N--CA 1.437 -1.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.846 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 41.8 mm -90.68 113.53 26.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-O 120.898 0.38 . . . . 0.0 110.045 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.2 m -107.92 122.77 47.49 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.92 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -120.92 158.04 28.55 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.362 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -103.36 117.83 35.38 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -174.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -103.91 119.63 39.33 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.7 m -113.06 128.76 56.58 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 121.258 0.551 . . . . 0.0 111.254 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -115.23 95.66 5.29 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 105.982 -1.859 . . . . 0.0 105.982 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.975 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -177.756 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 . . . . . 0 CA--C 1.516 -0.345 0 CA-C-O 121.604 0.716 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 21.4 t-105 -106.7 105.29 15.26 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.723 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 79.3 m -109.39 132.66 53.92 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -140.12 144.69 36.87 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -177.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -101.79 116.69 33.27 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.033 -176.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 44.7 t -97.96 128.85 48.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 77.8 m -122.06 114.78 21.4 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-O 120.953 0.406 . . . . 0.0 110.394 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -118.02 116.93 27.88 Favored 'General case' 0 N--CA 1.423 -1.775 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 63.29 21.18 12.69 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.541 0.736 . . . . 0.0 111.079 176.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.63 -10.98 53.53 Favored Glycine 0 N--CA 1.432 -1.619 0 CA-C-N 115.333 -0.848 . . . . 0.0 112.396 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.4 mm -89.06 105.06 15.52 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 CA-C-O 121.367 0.604 . . . . 0.0 109.721 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 93.3 m -98.65 128.22 44.86 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 114.717 -1.128 . . . . 0.0 110.787 -178.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -137.57 145.17 42.53 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 174.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -107.64 128.25 54.38 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-O 121.084 0.469 . . . . 0.0 111.308 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 73.2 mmtt -104.18 146.61 28.52 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.1 m -128.34 119.7 25.59 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.006 0.431 . . . . 0.0 110.416 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -119.38 96.39 5.19 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 177.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.165 0 N-CA-C 109.936 -1.265 . . . . 0.0 109.936 -176.536 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 . . . . . 0 C--O 1.234 0.265 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 22.5 t90 -104.09 114.14 28.17 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.854 -170.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.6 m -109.91 119.77 40.39 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.252 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -129.49 156.5 44.02 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -109.04 121.86 46.04 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 59.3 t -104.73 132.69 50.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 177.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.4 m -119.8 117.05 27.16 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 120.795 0.331 . . . . 0.0 110.136 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -135.44 127.67 30.09 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 64.66 13.93 8.68 Favored 'General case' 0 CA--C 1.565 1.555 0 CA-C-O 121.918 0.866 . . . . 0.0 111.461 174.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.4 -1.14 53.62 Favored Glycine 0 N--CA 1.44 -1.085 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.115 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.6 mm -101.81 111.15 30.57 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.296 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 98.0 m -105.27 119.62 39.51 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.614 178.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -124.53 143.41 50.69 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.513 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -91.12 116.75 29.05 Favored 'General case' 0 N--CA 1.427 -1.61 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -111.32 120.9 43.78 Favored 'General case' 0 C--N 1.273 -2.755 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.314 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.9 m -111.02 119.94 40.71 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 120.956 0.408 . . . . 0.0 111.051 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -125.78 118.26 25.16 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 176.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.093 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -178.814 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 120.76 0.314 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.4 t-105 -77.07 112.11 13.37 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 62.7 m -109.68 119.96 41.0 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.644 -176.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -111.72 149.15 32.04 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.285 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -100.36 108.74 20.84 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.541 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 48.8 t -92.02 123.77 44.26 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 82.6 m -118.96 121.27 39.54 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -138.85 128.8 25.16 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 62.76 21.86 13.02 Favored 'General case' 0 CA--C 1.563 1.465 0 CA-C-O 122.719 1.247 . . . . 0.0 109.818 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.68 -13.24 66.68 Favored Glycine 0 N--CA 1.439 -1.15 0 CA-C-N 114.599 -1.182 . . . . 0.0 112.461 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.504 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 51.1 mm -88.58 116.79 30.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 120.779 0.323 . . . . 0.0 110.355 -176.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 74.6 m -106.85 134.59 49.77 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.244 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -140.98 164.98 28.81 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -116.0 114.44 24.6 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 120.52 0.2 . . . . 0.0 111.212 -174.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -111.04 147.29 35.1 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 55.7 m -123.83 119.67 30.38 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 120.867 0.365 . . . . 0.0 110.908 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -94.82 93.16 7.32 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 104.595 -2.372 . . . . 0.0 104.595 173.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.111 0 N-CA-C 107.846 -2.102 . . . . 0.0 107.846 -169.896 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 . . . . . 0 CA--C 1.52 -0.202 0 CA-C-O 120.668 0.27 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 22.4 t90 -104.98 117.94 35.27 Favored 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 120.271 -0.572 . . . . 0.0 111.977 -174.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.2 m -116.7 129.17 55.97 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.574 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -133.06 139.54 47.23 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -101.23 112.94 25.58 Favored 'General case' 0 C--N 1.308 -1.228 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.244 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.7 t -100.31 128.6 52.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.536 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 79.1 m -117.24 116.53 27.43 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -132.13 122.67 25.72 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 63.59 23.8 13.73 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.995 0.518 . . . . 0.0 110.174 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.15 -12.8 68.56 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.345 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.536 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 43.3 mm -81.86 103.8 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.4 m -100.62 119.36 38.44 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.976 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -132.96 143.34 49.4 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -99.34 113.1 25.23 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-O 121.41 0.624 . . . . 0.0 109.375 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -99.28 133.24 43.86 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 -177.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.3 m -125.1 136.84 54.03 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.304 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -130.31 99.84 5.17 Favored 'General case' 0 N--CA 1.427 -1.592 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 172.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.088 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.427 -179.485 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 . . . . . 0 C--O 1.243 0.758 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.9 t90 -95.84 113.31 24.93 Favored 'General case' 0 N--CA 1.431 -1.399 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.686 -174.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.6 m -109.86 121.59 45.59 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.442 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -128.55 140.52 51.75 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.224 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -103.11 117.59 34.89 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 50.7 t -105.73 131.01 56.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 68.2 m -119.53 127.47 53.04 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -139.0 128.8 24.84 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 61.25 18.0 8.76 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.903 0.881 . . . . 0.0 111.431 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.69 -6.82 60.86 Favored Glycine 0 N--CA 1.432 -1.604 0 C-N-CA 121.302 -0.475 . . . . 0.0 112.19 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.489 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 51.8 mm -93.04 113.1 27.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.015 0.436 . . . . 0.0 109.931 -179.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 98.6 m -105.11 122.28 45.57 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.197 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -127.56 138.53 52.91 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -94.08 126.77 39.5 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -110.48 111.3 22.46 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.2 m -102.96 119.24 38.49 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -126.54 111.47 14.41 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 107.734 -1.209 . . . . 0.0 107.734 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.749 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.115 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 . . . . . 0 N--CA 1.445 -0.691 0 CA-C-O 120.88 0.371 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 -82.88 103.37 12.3 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.147 0.498 . . . . 0.0 111.209 -173.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.9 m -109.7 134.93 51.42 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.003 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -139.97 141.99 36.36 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.912 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -80.03 120.83 24.73 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.651 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.4 t -107.94 113.28 43.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 64.9 m -112.76 128.06 56.32 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.734 177.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -144.14 135.48 25.65 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 175.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 64.92 13.32 8.5 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.587 0.755 . . . . 0.0 110.622 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.13 -9.85 63.5 Favored Glycine 0 N--CA 1.438 -1.195 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.911 -176.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 46.8 mm -91.91 124.08 44.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -177.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.0 m -112.16 123.02 49.36 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.934 -177.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -133.06 149.61 52.16 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -100.69 128.26 46.8 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-O 120.569 0.223 . . . . 0.0 110.849 -177.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -110.17 133.09 53.58 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 94.2 m -118.12 119.51 34.97 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.207 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -104.15 89.44 3.27 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 174.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.331 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -175.17 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 . . . . . 0 N--CA 1.444 -0.736 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 16.1 t-105 -110.28 125.31 53.0 Favored 'General case' 0 N--CA 1.437 -1.1 0 C-N-CA 120.464 -0.495 . . . . 0.0 111.04 -173.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.8 m -109.55 119.55 39.75 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 174.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 15' ' ' LYS . 33.9 p90 -123.16 137.49 54.89 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.652 -176.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -97.25 131.91 43.51 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.874 178.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.9 t -125.36 127.58 72.03 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 71.4 m -117.72 119.92 36.4 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -145.38 136.84 25.15 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 63.97 18.09 10.99 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 121.784 0.802 . . . . 0.0 110.722 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.16 13.72 63.55 Favored Glycine 0 N--CA 1.438 -1.204 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.959 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.507 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 48.6 mm -113.93 119.28 60.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.2 m -109.85 126.11 53.48 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.132 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -143.03 161.29 38.53 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 14' ' ' ARG . 45.7 ttm180 -129.19 128.36 43.21 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 4' ' ' PHE . 13.8 mmmm -110.14 136.56 49.18 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.4 m -111.31 119.09 37.72 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 174.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -131.59 122.57 26.28 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.038 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -178.314 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 . . . . . 0 N--CA 1.451 -0.403 0 CA-C-O 121.09 0.472 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.423 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 17.3 t-105 -89.15 108.87 19.84 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.4 m -120.95 119.43 32.56 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.183 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.424 ' CE2' ' HB2' ' A' ' 15' ' ' LYS . 27.9 p90 -121.55 140.62 51.98 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -100.53 126.82 47.01 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.49 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -114.96 122.9 70.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 177.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 78.6 m -114.1 118.08 33.04 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 177.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -134.97 127.53 30.71 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? 60.75 19.82 9.91 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.321 0.582 . . . . 0.0 111.212 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.14 -11.16 60.28 Favored Glycine 0 N--CA 1.444 -0.829 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.459 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 47.7 mm -90.41 116.9 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.949 0 O-C-N 122.543 -0.386 . . . . 0.0 110.123 -178.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 97.3 m -109.61 111.6 23.19 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.687 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -120.24 158.83 26.18 Favored 'General case' 0 C--N 1.279 -2.467 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -127.18 122.67 34.74 Favored 'General case' 0 C--N 1.286 -2.157 0 C-N-CA 120.596 -0.442 . . . . 0.0 109.872 -176.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . 32.2 mmmt -97.87 125.22 42.64 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 2' ' ' TRP . 89.8 m -115.43 119.71 37.14 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-O 121.431 0.634 . . . . 0.0 112.187 -178.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -115.07 97.38 6.18 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 174.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.81 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 -176.932 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 23.4 t90 -62.19 114.99 3.76 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 123.399 0.68 . . . . 0.0 109.822 176.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.9 m -109.89 130.68 55.5 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.043 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -135.06 153.9 51.88 Favored 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.45 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -96.96 122.79 40.33 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 37.2 t -107.08 126.44 63.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 73.6 m -118.15 120.49 37.88 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -143.02 132.95 24.14 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 62.32 10.93 4.17 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.678 0.791 . . . . 0.0 112.56 178.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.17 -3.56 47.84 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 -177.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 46.5 mm -98.73 109.31 23.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.239 0 CA-C-O 121.144 0.497 . . . . 0.0 110.079 -178.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 82.8 m -103.96 115.65 30.84 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.544 178.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -125.77 150.64 47.6 Favored 'General case' 0 C--N 1.291 -1.972 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.162 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -90.29 110.38 21.44 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -110.07 128.72 55.59 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.8 m -113.99 128.15 56.26 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 120.911 0.386 . . . . 0.0 110.202 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -130.32 111.35 12.28 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 177.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.328 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.202 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 23.5 t-105 -96.63 120.67 37.39 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.578 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 78.7 m -109.55 129.14 55.59 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.326 178.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -129.22 140.07 51.61 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.135 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -99.01 119.71 38.24 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.595 -178.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.9 t -112.86 138.87 40.66 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 71.8 m -122.15 125.93 47.21 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -131.68 117.24 18.39 Favored 'General case' 0 N--CA 1.427 -1.625 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 61.48 19.64 10.49 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.913 0.885 . . . . 0.0 112.545 177.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.94 -13.44 37.9 Favored Glycine 0 N--CA 1.437 -1.242 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.058 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 51.3 mm -88.42 110.89 21.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 89.9 m -107.55 120.13 41.34 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.484 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -127.8 143.69 51.12 Favored 'General case' 0 C--N 1.293 -1.887 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.045 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -98.82 110.88 23.41 Favored 'General case' 0 N--CA 1.426 -1.673 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 175.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -98.23 118.97 36.06 Favored 'General case' 0 C--N 1.278 -2.537 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 -176.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.0 m -102.48 119.23 38.46 Favored 'General case' 0 C--N 1.289 -2.026 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.982 178.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -116.7 102.5 9.48 Favored 'General case' 0 N--CA 1.426 -1.659 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.955 0 N-CA-C 108.639 -1.784 . . . . 0.0 108.639 -174.161 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 . . . . . 0 CA--C 1.516 -0.363 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -104.36 122.92 46.47 Favored 'General case' 0 N--CA 1.437 -1.112 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 -176.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.7 m -112.47 127.94 56.19 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 121.092 0.473 . . . . 0.0 110.581 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -128.46 160.45 32.25 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.176 -178.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -110.31 118.22 35.74 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 40.0 t -104.76 127.63 59.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 177.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 70.8 m -119.78 111.88 18.55 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 178.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -125.53 125.02 42.56 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 60.93 18.46 8.84 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.205 1.002 . . . . 0.0 112.38 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.0 -10.44 48.01 Favored Glycine 0 N--CA 1.441 -1.025 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.63 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 45.6 mm -94.14 112.51 27.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.131 0.491 . . . . 0.0 110.499 -179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 72.9 m -104.5 138.35 41.0 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.165 179.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -141.15 149.09 41.04 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.319 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -94.45 102.85 14.82 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -100.08 127.01 46.38 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -176.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m -112.23 119.73 39.35 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-O 121.463 0.649 . . . . 0.0 110.809 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -111.28 100.82 9.37 Favored 'General case' 0 N--CA 1.425 -1.687 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.339 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -178.732 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 . . . . . 0 N--CA 1.451 -0.398 0 N-CA-C 111.52 0.193 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 19.5 t90 -107.98 119.94 40.9 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 119.655 -0.818 . . . . 0.0 112.111 -174.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 86.7 m -109.69 119.62 39.96 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 174.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -123.58 146.33 48.23 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.942 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -107.25 123.54 48.45 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 62.0 t -108.58 128.37 64.28 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.065 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 79.2 m -119.52 110.02 16.4 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 123.458 0.474 . . . . 0.0 109.743 178.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -120.69 113.49 20.29 Favored 'General case' 0 N--CA 1.427 -1.594 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 62.69 19.53 11.43 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.314 1.046 . . . . 0.0 111.61 177.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.21 -9.55 33.48 Favored Glycine 0 N--CA 1.438 -1.201 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.693 -178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 47.6 mm -91.87 104.83 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.048 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 95.6 m -102.65 121.99 43.52 Favored 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.84 179.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -131.13 143.78 50.9 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -104.91 116.48 32.05 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -110.22 123.23 49.41 Favored 'General case' 0 N--CA 1.411 -2.424 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.537 -176.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.1 m -110.09 119.97 40.97 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.785 -178.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -115.64 92.21 3.84 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.098 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.789 -179.864 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 . . . . . 0 C--O 1.237 0.413 0 CA-C-O 121.529 0.68 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -99.24 111.79 24.09 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.765 -178.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.1 m -110.74 122.4 47.72 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -128.13 145.75 50.91 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -111.33 129.67 55.92 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 41.9 t -117.91 141.73 35.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 76.2 m -125.01 128.92 49.3 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 178.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -134.44 114.9 13.37 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? 58.51 29.07 17.86 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 124.259 1.024 . . . . 0.0 112.177 174.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.19 -6.51 42.85 Favored Glycine 0 N--CA 1.434 -1.493 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.856 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 46.1 mm -99.77 110.65 27.38 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 CA-C-N 117.077 0.439 . . . . 0.0 110.11 178.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 95.4 m -108.79 121.15 44.46 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.218 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.5 p90 -130.49 147.93 52.24 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -112.67 128.05 56.29 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -110.46 127.48 55.16 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 176.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.5 m -103.01 118.46 36.86 Favored 'General case' 0 N--CA 1.415 -2.202 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 174.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -115.42 99.26 7.24 Favored 'General case' 0 C--N 1.282 -2.345 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -178.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.263 0 N-CA-C 109.385 -1.486 . . . . 0.0 109.385 -174.361 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 . . . . . 0 N--CA 1.442 -0.866 0 CA-C-O 121.561 0.696 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 -94.2 115.72 28.02 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.3 m -109.7 127.14 54.39 Favored 'General case' 0 C--N 1.284 -2.264 0 CA-C-O 121.189 0.519 . . . . 0.0 110.837 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -125.04 142.78 51.27 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.122 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -95.62 114.2 25.93 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -175.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.8 t -100.65 128.85 52.33 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 83.4 m -127.41 109.92 12.25 Favored 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 178.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -113.48 118.04 33.38 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 64.78 15.03 9.56 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.487 0.715 . . . . 0.0 110.627 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.16 -11.48 40.38 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 116.31 -0.405 . . . . 0.0 112.11 -176.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.54 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 51.3 mm -84.47 103.94 12.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.4 m -97.77 130.44 44.72 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.717 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -141.23 145.61 35.81 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.275 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -90.58 119.42 30.82 Favored 'General case' 0 C--N 1.288 -2.069 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -103.84 108.85 20.35 Favored 'General case' 0 C--N 1.287 -2.15 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 -178.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.0 m -101.81 119.94 39.58 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.39 0.614 . . . . 0.0 111.163 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -114.74 107.14 15.06 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 178.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.383 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -175.511 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 . . . . . 0 N--CA 1.445 -0.713 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.2 t90 -102.32 117.28 34.41 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.703 -176.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.3 m -109.89 119.92 40.86 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.141 0.496 . . . . 0.0 109.848 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -129.18 155.05 46.13 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.45 -176.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -107.27 128.63 54.61 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.1 t -111.6 133.03 58.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.553 ' HA ' ' O ' ' A' ' 11' ' ' ILE . 73.8 m -121.0 124.91 46.03 Favored 'General case' 0 C--N 1.289 -2.047 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 175.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -129.93 113.05 14.13 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 63.03 20.89 12.58 Favored 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 122.262 1.029 . . . . 0.0 110.38 178.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.99 -19.01 30.71 Favored Glycine 0 N--CA 1.437 -1.299 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.688 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.553 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 50.7 mm -80.46 111.52 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.812 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 87.0 m -107.92 131.84 54.1 Favored 'General case' 0 C--N 1.291 -1.975 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.347 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -144.06 140.09 29.32 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.77 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -91.42 111.25 22.67 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 176.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -106.16 133.18 51.27 Favored 'General case' 0 C--N 1.283 -2.313 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.8 m -107.63 132.49 53.25 Favored 'General case' 0 C--N 1.287 -2.118 0 C-N-CA 120.447 -0.501 . . . . 0.0 109.881 177.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -124.1 94.78 4.32 Favored 'General case' 0 N--CA 1.417 -2.107 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.324 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.345 -179.574 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 121.352 0.596 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 -110.11 130.73 55.49 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.26 -177.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.0 m -119.72 136.98 54.2 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.007 178.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -129.28 152.59 48.68 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -107.79 113.15 26.19 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-O 121.015 0.436 . . . . 0.0 110.409 -175.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 60.5 t -90.69 115.63 30.35 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.946 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.9 m -114.62 122.01 45.19 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -125.5 113.31 17.3 Favored 'General case' 0 N--CA 1.417 -2.094 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 60.95 26.29 16.23 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.016 0.926 . . . . 0.0 111.13 178.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.46 -15.73 53.22 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.374 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.7 mm -87.03 103.42 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.025 0 CA-C-O 121.538 0.685 . . . . 0.0 109.492 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 72.3 m -102.23 135.48 43.75 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 114.396 -1.275 . . . . 0.0 111.439 -178.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -141.74 150.44 41.8 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 123.553 0.741 . . . . 0.0 109.045 174.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -99.4 122.56 42.69 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-O 121.155 0.502 . . . . 0.0 111.528 -175.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -110.15 134.68 51.95 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 174.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.2 m -119.58 134.74 55.09 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.451 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -130.55 109.55 10.76 Favored 'General case' 0 N--CA 1.421 -1.919 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 175.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.629 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 -178.609 . . . . . . . . 0 0 . 1 stop_ save_