data_2lyf_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2lyf _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.8 t80 . . . . . 0 N--CA 1.434 -1.251 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.0 m -108.99 133.36 53.09 Favored 'General case' 0 C--N 1.287 -2.127 0 CA-C-O 121.48 0.657 . . . . 0.0 111.679 -176.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -137.0 154.24 50.46 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 65.2 m -117.47 134.0 55.34 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.332 -0.947 . . . . 0.0 112.403 -176.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.9 tp -117.66 131.72 56.6 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.5 m -114.82 140.26 49.08 Favored 'General case' 0 C--N 1.287 -2.148 0 C-N-CA 119.61 -0.836 . . . . 0.0 110.472 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -129.33 105.42 8.11 Favored 'General case' 0 N--CA 1.426 -1.668 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 61.13 35.67 18.5 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 122.445 1.117 . . . . 0.0 110.943 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.2 -14.01 66.17 Favored Glycine 0 N--CA 1.435 -1.409 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.909 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.8 t -92.77 114.6 29.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 70.8 m -97.17 132.22 43.15 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-O 121.834 0.826 . . . . 0.0 112.713 -176.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -122.31 127.02 49.32 Favored 'General case' 0 C--N 1.287 -2.143 0 CA-C-N 114.416 -1.266 . . . . 0.0 108.094 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.0 m -99.35 135.3 40.96 Favored 'General case' 0 C--N 1.278 -2.533 0 C-N-CA 119.468 -0.893 . . . . 0.0 109.314 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.7 tp -126.85 126.51 68.63 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.947 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.447 -175.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.6 m -98.1 131.89 44.11 Favored 'General case' 0 C--N 1.281 -2.373 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.282 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.8 m . . . . . 0 C--N 1.283 -2.305 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -179.811 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.2 t80 . . . . . 0 N--CA 1.43 -1.465 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.9 m -96.37 123.56 40.06 Favored 'General case' 0 N--CA 1.418 -2.055 0 CA-C-O 121.636 0.731 . . . . 0.0 111.255 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -112.68 116.43 30.13 Favored 'General case' 0 C--N 1.279 -2.489 0 CA-C-N 114.533 -1.212 . . . . 0.0 108.774 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 84.8 m -99.88 127.39 46.06 Favored 'General case' 0 C--N 1.285 -2.215 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 pp -134.84 145.75 48.62 Favored 'General case' 0 C--N 1.282 -2.357 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.665 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.7 m -105.24 129.78 53.53 Favored 'General case' 0 C--N 1.284 -2.267 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.093 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -129.05 110.91 12.44 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.786 -173.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 59.49 34.53 22.57 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 122.673 1.225 . . . . 0.0 111.051 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.3 -18.02 57.16 Favored Glycine 0 N--CA 1.432 -1.611 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.929 177.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.9 t -97.9 130.43 46.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.8 m -95.64 128.44 42.5 Favored 'General case' 0 C--N 1.295 -1.786 0 C-N-CA 118.401 -1.32 . . . . 0.0 110.762 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -124.66 121.91 36.04 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 -172.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.8 m -103.62 135.78 44.56 Favored 'General case' 0 C--N 1.288 -2.095 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 tp -127.35 121.99 58.61 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 C-N-CA 123.246 0.618 . . . . 0.0 109.468 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.7 m -104.94 128.77 53.33 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 121.171 0.51 . . . . 0.0 109.752 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.7 m . . . . . 0 C--N 1.289 -2.035 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.158 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 50.3 t80 . . . . . 0 N--CA 1.438 -1.058 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.6 m -101.28 127.47 47.87 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.477 0.656 . . . . 0.0 111.405 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -111.16 124.36 52.04 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.251 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 86.4 m -103.71 137.72 41.35 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -133.23 138.55 46.55 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.161 176.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 63.2 m -113.34 139.33 48.95 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 119.974 -0.691 . . . . 0.0 111.469 -177.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -139.55 114.1 9.2 Favored 'General case' 0 N--CA 1.424 -1.755 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.44 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 53.58 41.59 32.06 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.93 1.292 . . . . 0.0 111.895 175.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.21 -13.78 66.65 Favored Glycine 0 N--CA 1.429 -1.772 0 CA-C-N 115.685 -0.688 . . . . 0.0 114.295 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.3 p -106.95 124.36 62.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 C-N-CA 119.4 -0.92 . . . . 0.0 109.703 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.3 m -96.16 129.97 43.32 Favored 'General case' 0 N--CA 1.418 -2.075 0 CA-C-O 121.314 0.578 . . . . 0.0 111.042 178.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -116.82 144.7 44.18 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.6 m -129.52 136.13 49.47 Favored 'General case' 0 C--N 1.288 -2.107 0 C-N-CA 119.614 -0.835 . . . . 0.0 109.329 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.2 mt -108.24 129.63 62.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.3 m -110.51 124.41 51.76 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 119.941 -0.704 . . . . 0.0 110.66 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.6 m . . . . . 0 C--N 1.285 -2.229 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 -178.153 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.5 t80 . . . . . 0 N--CA 1.439 -0.977 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 55.8 m -94.51 133.44 38.12 Favored 'General case' 0 C--N 1.285 -2.207 0 C-N-CA 119.826 -0.75 . . . . 0.0 112.323 -176.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -120.69 137.33 54.53 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.76 -1.109 . . . . 0.0 108.291 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 78.8 m -103.03 134.79 45.87 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-O 121.461 0.648 . . . . 0.0 112.585 -176.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.0 tp -119.83 111.71 18.31 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.7 m -97.94 136.96 37.49 Favored 'General case' 0 C--N 1.283 -2.283 0 CA-C-O 121.349 0.595 . . . . 0.0 110.499 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -134.76 114.99 13.21 Favored 'General case' 0 N--CA 1.419 -1.977 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.805 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 59.23 34.77 23.25 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.181 0.993 . . . . 0.0 110.779 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.46 -13.74 65.73 Favored Glycine 0 N--CA 1.437 -1.265 0 CA-C-N 115.884 -0.598 . . . . 0.0 113.466 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.3 t -94.56 126.33 47.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.1 m -103.58 126.64 50.86 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 119.449 -0.901 . . . . 0.0 112.746 -178.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -117.08 125.97 52.12 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 114.623 -1.171 . . . . 0.0 107.862 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.4 m -106.18 135.85 46.94 Favored 'General case' 0 C--N 1.284 -2.266 0 C-N-CA 119.454 -0.898 . . . . 0.0 110.534 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.9 mt -120.67 137.58 53.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -177.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 55.8 m -104.42 130.15 52.33 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.627 0.727 . . . . 0.0 111.746 -178.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.6 m . . . . . 0 N--CA 1.422 -1.861 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.459 -177.668 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.6 t80 . . . . . 0 CA--C 1.508 -0.669 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 59.2 m -93.28 135.91 34.05 Favored 'General case' 0 C--N 1.284 -2.259 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.759 -175.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -127.03 142.87 51.44 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 95.9 m -111.81 127.62 55.87 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.876 176.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.3 mt -126.62 122.64 35.6 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-N 115.014 -0.994 . . . . 0.0 108.937 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.6 m -101.88 138.2 39.17 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.597 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -137.55 99.62 3.99 Favored 'General case' 0 N--CA 1.415 -2.192 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.582 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 53.53 48.75 21.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.923 -1.035 . . . . 0.0 112.793 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.19 -20.09 49.71 Favored Glycine 0 N--CA 1.428 -1.848 0 CA-C-N 115.415 -0.812 . . . . 0.0 113.188 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.8 t -93.04 113.99 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.109 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.8 m -96.71 126.04 41.59 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.707 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -123.73 106.41 10.49 Favored 'General case' 0 C--N 1.278 -2.541 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.677 -173.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.1 m -97.59 134.81 40.3 Favored 'General case' 0 C--N 1.286 -2.19 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 173.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.5 tp -138.71 144.81 29.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 48.6 m -105.59 132.07 52.19 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-O 121.535 0.683 . . . . 0.0 112.075 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.425 -1.721 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.219 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.2 t80 . . . . . 0 N--CA 1.442 -0.87 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.1 m -103.31 131.58 50.26 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.098 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -129.53 137.54 50.84 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 85.7 m -101.61 125.59 48.29 Favored 'General case' 0 N--CA 1.418 -2.042 0 CA-C-O 121.528 0.68 . . . . 0.0 111.32 176.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.1 mt -108.26 111.84 24.01 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 114.101 -1.409 . . . . 0.0 107.56 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 m -105.71 144.17 32.84 Favored 'General case' 0 C--N 1.281 -2.382 0 CA-C-O 121.034 0.445 . . . . 0.0 110.887 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -137.71 115.43 11.37 Favored 'General case' 0 N--CA 1.427 -1.605 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 55.93 37.99 29.48 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.897 0.879 . . . . 0.0 112.761 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.31 -20.08 48.48 Favored Glycine 0 N--CA 1.43 -1.711 0 CA-C-N 115.598 -0.728 . . . . 0.0 113.452 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t -89.69 121.69 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.041 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.2 m -101.21 133.84 45.15 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -177.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -118.89 114.58 22.82 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 114.437 -1.256 . . . . 0.0 107.94 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.9 m -98.8 135.98 39.48 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 120.312 -0.555 . . . . 0.0 111.013 -177.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.0 tt -129.61 144.16 38.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.536 -177.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.7 m -120.18 128.07 53.05 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.287 0.565 . . . . 0.0 110.802 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.2 m . . . . . 0 C--N 1.298 -1.662 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.386 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.7 t80 . . . . . 0 N--CA 1.434 -1.232 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.0 m -104.65 123.68 48.01 Favored 'General case' 0 N--CA 1.418 -2.061 0 CA-C-O 121.808 0.813 . . . . 0.0 111.104 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -116.33 136.99 52.52 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.5 m -100.15 127.28 46.43 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.168 -1.013 . . . . 0.0 112.141 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -120.76 146.42 46.51 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 114.546 -1.207 . . . . 0.0 107.986 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.6 m -113.19 125.52 54.42 Favored 'General case' 0 C--N 1.287 -2.126 0 C-N-CA 118.567 -1.253 . . . . 0.0 111.085 176.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.8 ttm-85 -109.68 100.24 9.3 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-N 114.492 -1.231 . . . . 0.0 108.386 -175.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 57.47 41.67 25.7 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 123.722 0.809 . . . . 0.0 111.656 175.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.55 -24.23 28.65 Favored Glycine 0 N--CA 1.434 -1.5 0 CA-C-N 115.348 -0.842 . . . . 0.0 113.126 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.4 t -90.35 121.87 41.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 82.4 m -95.64 134.82 38.1 Favored 'General case' 0 C--N 1.285 -2.214 0 C-N-CA 119.276 -0.97 . . . . 0.0 111.909 -176.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -136.29 133.02 36.49 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.876 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.6 m -95.03 135.65 36.31 Favored 'General case' 0 C--N 1.283 -2.298 0 C-N-CA 120.239 -0.584 . . . . 0.0 109.502 175.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.6 mm -119.83 140.19 44.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.7 m -116.29 129.25 56.18 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.245 0.545 . . . . 0.0 110.671 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.8 m . . . . . 0 C--N 1.294 -1.831 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.067 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 81.9 t80 . . . . . 0 N--CA 1.428 -1.532 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.9 m -92.62 124.29 36.53 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 121.734 0.778 . . . . 0.0 110.282 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -124.88 132.8 53.26 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.781 -174.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.2 m -106.9 132.39 52.91 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.778 0.799 . . . . 0.0 112.809 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 mp -116.59 146.38 42.72 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 65.2 m -119.35 134.11 55.38 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 118.662 -1.215 . . . . 0.0 112.239 -177.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -135.23 118.08 16.2 Favored 'General case' 0 N--CA 1.427 -1.587 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.636 -175.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 58.49 34.22 23.75 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.062 0.945 . . . . 0.0 111.37 174.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.06 63.93 Favored Glycine 0 N--CA 1.436 -1.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.727 177.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.7 p -107.4 141.63 22.13 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.202 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.1 m -104.69 131.44 52.12 Favored 'General case' 0 N--CA 1.413 -2.277 0 C-N-CA 119.307 -0.957 . . . . 0.0 112.16 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -105.2 117.07 33.08 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 113.696 -1.593 . . . . 0.0 107.147 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.4 m -108.23 136.01 48.61 Favored 'General case' 0 C--N 1.277 -2.558 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.954 -178.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.8 tp -126.61 138.57 54.32 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.2 m -111.78 129.78 56.02 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.9 m . . . . . 0 C--N 1.29 -1.988 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -179.481 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 83.5 t80 . . . . . 0 N--CA 1.439 -0.988 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 59.6 m -94.73 125.26 39.26 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-O 121.749 0.785 . . . . 0.0 110.317 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -127.67 148.26 50.39 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 114.486 -1.234 . . . . 0.0 107.793 -177.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 80.4 m -110.77 129.9 55.72 Favored 'General case' 0 C--N 1.292 -1.904 0 C-N-CA 119.305 -0.958 . . . . 0.0 112.327 -178.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -113.17 120.0 39.72 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.5 m -107.37 138.62 43.23 Favored 'General case' 0 C--N 1.292 -1.919 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.953 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -148.29 133.56 18.45 Favored 'General case' 0 N--CA 1.425 -1.723 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 53.94 34.35 19.37 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.79 -21.33 39.81 Favored Glycine 0 N--CA 1.433 -1.532 0 CA-C-N 116.297 -0.41 . . . . 0.0 113.836 177.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -97.91 137.84 24.36 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 117.531 0.665 . . . . 0.0 109.985 -177.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.4 m -106.68 126.8 52.75 Favored 'General case' 0 N--CA 1.412 -2.341 0 CA-C-O 121.599 0.714 . . . . 0.0 111.085 177.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -112.99 112.77 24.47 Favored 'General case' 0 C--N 1.278 -2.501 0 CA-C-N 114.575 -1.193 . . . . 0.0 107.931 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 65.7 m -91.6 134.38 34.73 Favored 'General case' 0 N--CA 1.422 -1.838 0 C-N-CA 119.149 -1.02 . . . . 0.0 109.934 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.4 mm -127.67 134.01 66.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.123 -174.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 58.4 m -102.42 128.94 48.8 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 176.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.4 m . . . . . 0 C--N 1.284 -2.281 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -179.001 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.6 t80 . . . . . 0 N--CA 1.434 -1.226 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.9 m -109.67 136.56 48.82 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 120.63 0.252 . . . . 0.0 110.678 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -141.05 146.81 37.67 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 52.0 m -110.55 143.27 41.17 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.175 -1.01 . . . . 0.0 112.462 -176.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 99.0 mt -124.33 146.23 48.94 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.566 -1.197 . . . . 0.0 108.076 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.0 m -120.16 133.22 55.55 Favored 'General case' 0 C--N 1.292 -1.932 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.342 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -118.03 93.44 4.14 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.844 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 53.85 50.52 16.72 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 114.54 -1.209 . . . . 0.0 112.152 174.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.63 -18.07 58.1 Favored Glycine 0 C--N 1.292 -1.912 0 CA-C-N 114.622 -1.172 . . . . 0.0 113.739 177.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.7 t -100.01 114.58 38.91 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.2 m -95.83 134.71 38.46 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.77 -0.772 . . . . 0.0 111.804 -177.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -127.0 131.93 50.89 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.748 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.1 m -102.93 135.67 44.17 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 119.147 -1.021 . . . . 0.0 109.685 176.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mp -116.12 131.24 69.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.5 m -117.0 129.07 55.78 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 177.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.7 m . . . . . 0 C--N 1.281 -2.399 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.659 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.0 t80 . . . . . 0 N--CA 1.428 -1.565 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.5 m -88.98 123.53 33.39 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 121.841 0.829 . . . . 0.0 111.076 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -123.34 137.75 54.76 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 114.267 -1.333 . . . . 0.0 108.662 -174.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 79.2 m -107.38 132.73 52.85 Favored 'General case' 0 C--N 1.293 -1.856 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.053 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.3 tp -130.43 127.57 39.56 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 115.288 -0.869 . . . . 0.0 108.834 -177.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 76.2 m -93.88 132.0 38.74 Favored 'General case' 0 C--N 1.292 -1.912 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.594 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -119.11 97.5 5.71 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-N 114.541 -1.209 . . . . 0.0 108.806 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 58.96 39.54 23.49 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 124.12 0.968 . . . . 0.0 112.907 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.17 -17.71 58.29 Favored Glycine 0 C--N 1.3 -1.436 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.873 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.5 t -97.01 118.14 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.25 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 177.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 85.2 m -94.94 136.74 34.9 Favored 'General case' 0 C--N 1.285 -2.237 0 C-N-CA 119.196 -1.002 . . . . 0.0 111.592 -176.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -130.02 146.06 51.68 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.4 m -115.37 135.63 53.93 Favored 'General case' 0 C--N 1.285 -2.202 0 C-N-CA 119.343 -0.943 . . . . 0.0 108.99 175.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.8 tt -124.59 136.34 60.97 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.2 m -105.86 130.52 53.81 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.3 m . . . . . 0 C--N 1.292 -1.912 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -178.274 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.0 t80 . . . . . 0 N--CA 1.442 -0.832 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.2 m -106.43 126.03 51.75 Favored 'General case' 0 C--N 1.292 -1.908 0 CA-C-O 121.861 0.839 . . . . 0.0 113.089 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -96.78 113.87 25.46 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 78.2 m -100.64 135.01 42.75 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -174.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -144.56 146.35 32.3 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.358 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 61.5 m -111.14 134.7 52.53 Favored 'General case' 0 C--N 1.285 -2.228 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 175.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -130.89 115.26 16.32 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.396 -177.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 57.37 36.68 27.44 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 122.443 1.116 . . . . 0.0 110.238 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.19 -18.88 42.29 Favored Glycine 0 N--CA 1.427 -1.941 0 CA-C-N 114.719 -1.128 . . . . 0.0 112.937 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t -84.17 115.67 26.67 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 71.6 m -95.07 129.09 42.29 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-O 121.598 0.713 . . . . 0.0 111.082 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -142.14 143.14 32.86 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.67 -174.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.0 m -115.68 135.77 53.72 Favored 'General case' 0 N--CA 1.42 -1.94 0 C-N-CA 119.813 -0.755 . . . . 0.0 109.701 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.6 mm -94.94 108.86 21.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.9 m -92.16 129.39 38.12 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.367 0.603 . . . . 0.0 111.492 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.8 m . . . . . 0 C--N 1.294 -1.811 0 CA-C-N 114.541 -1.208 . . . . 0.0 108.929 -177.945 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.8 t80 . . . . . 0 N--CA 1.436 -1.136 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 59.7 m -96.89 137.77 35.46 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 121.367 0.603 . . . . 0.0 111.963 -175.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -133.77 135.69 44.05 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 69.8 m -106.14 134.59 49.03 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -174.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mp -125.8 146.93 49.58 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.023 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.4 m -120.8 137.58 54.46 Favored 'General case' 0 C--N 1.291 -1.937 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.489 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -132.0 110.11 10.51 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.353 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 54.78 42.51 31.12 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.197 0.999 . . . . 0.0 112.383 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.63 -23.95 28.13 Favored Glycine 0 N--CA 1.432 -1.573 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.608 177.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.2 t -89.15 115.34 28.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 98.6 m -95.8 133.39 39.98 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-O 121.218 0.532 . . . . 0.0 111.118 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -130.98 141.28 50.24 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.233 -176.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.2 m -112.07 137.74 49.7 Favored 'General case' 0 C--N 1.288 -2.083 0 C-N-CA 119.693 -0.803 . . . . 0.0 109.644 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.0 mt -119.51 133.36 66.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 56.3 m -108.21 129.07 55.21 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.014 0.435 . . . . 0.0 110.043 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.4 m . . . . . 0 C--N 1.293 -1.867 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 -179.732 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.7 t80 . . . . . 0 N--CA 1.443 -0.794 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.1 m -109.78 132.63 53.97 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.594 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -121.86 125.68 47.0 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 106.365 -1.716 . . . . 0.0 106.365 176.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 76.6 m -100.07 136.97 39.16 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.344 0.593 . . . . 0.0 112.393 -175.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -140.46 139.48 35.19 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.737 177.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 64.8 m -108.29 144.22 36.1 Favored 'General case' 0 C--N 1.29 -1.982 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.585 -177.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -141.12 121.01 13.57 Favored 'General case' 0 N--CA 1.421 -1.9 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 47.31 43.1 14.75 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.161 1.384 . . . . 0.0 114.726 176.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.54 -9.45 77.55 Favored Glycine 0 C--N 1.298 -1.557 0 CA-C-N 115.072 -0.967 . . . . 0.0 113.686 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.5 t -105.71 124.13 60.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 74.4 m -101.7 128.59 47.94 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.833 179.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -126.79 142.3 51.58 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -176.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.4 m -120.16 135.26 55.03 Favored 'General case' 0 C--N 1.279 -2.48 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.085 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.1 tt -100.12 130.81 48.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.8 m -120.53 127.94 52.64 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.213 0.53 . . . . 0.0 110.751 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.5 m . . . . . 0 C--N 1.29 -1.988 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 177.746 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.8 t80 . . . . . 0 N--CA 1.439 -0.997 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.9 m -102.29 126.96 49.45 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.779 0.799 . . . . 0.0 111.533 -176.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -115.26 137.55 51.91 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 -177.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.4 m -108.4 133.64 52.31 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 119.432 -0.907 . . . . 0.0 112.348 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 pp -141.84 146.57 36.0 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.598 -179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.4 m -111.97 134.23 53.65 Favored 'General case' 0 C--N 1.285 -2.22 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.143 178.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.39 109.61 11.95 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 -176.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 57.72 39.13 27.54 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 121.704 0.764 . . . . 0.0 112.217 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.22 -23.71 22.89 Favored Glycine 0 N--CA 1.431 -1.687 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.746 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.3 t -81.28 117.64 27.66 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.194 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.3 m -95.31 123.71 38.97 Favored 'General case' 0 N--CA 1.4 -2.926 0 CA-C-O 121.905 0.859 . . . . 0.0 110.085 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -133.05 135.01 45.11 Favored 'General case' 0 C--N 1.267 -3.014 0 CA-C-N 113.925 -1.489 . . . . 0.0 109.335 -171.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.0 m -106.11 135.0 48.34 Favored 'General case' 0 C--N 1.274 -2.699 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.0 tt -115.35 130.9 69.15 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -177.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.6 m -104.81 126.44 51.89 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-O 121.905 0.86 . . . . 0.0 110.066 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.4 m . . . . . 0 C--N 1.283 -2.291 0 N-CA-C 106.025 -1.843 . . . . 0.0 106.025 179.156 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.7 t80 . . . . . 0 N--CA 1.435 -1.18 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.9 m -116.45 133.09 56.41 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 120.087 -0.645 . . . . 0.0 112.553 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.9 mmm180 -112.73 120.95 43.28 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 174.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 80.6 m -99.51 128.6 45.63 Favored 'General case' 0 C--N 1.294 -1.816 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.996 -175.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.1 tp -134.13 145.43 49.29 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.955 -176.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 62.7 m -114.43 144.35 43.45 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -143.1 112.87 6.98 Favored 'General case' 0 N--CA 1.422 -1.851 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.0 mtm-85 55.68 40.81 30.92 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 124.901 1.28 . . . . 0.0 111.895 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.42 -19.92 44.27 Favored Glycine 0 N--CA 1.426 -1.974 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.782 178.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.5 t -85.71 114.59 25.77 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.5 m -97.16 127.34 43.04 Favored 'General case' 0 C--N 1.288 -2.074 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.223 177.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -138.53 140.39 39.08 Favored 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.707 -175.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.4 m -106.12 134.96 48.43 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 118.639 -1.224 . . . . 0.0 110.258 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.0 mm -96.0 108.75 21.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.2 m -103.65 120.68 41.39 Favored 'General case' 0 C--N 1.287 -2.144 0 CA-C-O 121.826 0.822 . . . . 0.0 110.73 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.409 -2.5 0 CA-C-N 114.252 -1.34 . . . . 0.0 108.626 -178.599 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 82.7 t80 . . . . . 0 N--CA 1.432 -1.339 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.4 m -98.56 128.82 45.03 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-O 121.874 0.845 . . . . 0.0 111.84 -176.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -112.36 138.27 49.32 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.8 m -117.67 122.82 44.57 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-O 121.799 0.809 . . . . 0.0 111.401 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -111.52 122.89 49.02 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-N 113.937 -1.483 . . . . 0.0 107.589 -176.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.7 m -102.3 133.69 46.8 Favored 'General case' 0 C--N 1.284 -2.258 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.086 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -138.64 120.8 15.74 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 -175.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 59.01 33.79 23.2 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.478 1.111 . . . . 0.0 112.041 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.01 6.73 89.01 Favored Glycine 0 N--CA 1.439 -1.117 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.994 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.7 t -115.56 127.86 73.0 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 177.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.8 m -97.74 130.38 44.71 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 121.763 0.792 . . . . 0.0 112.255 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -119.4 125.61 49.4 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -175.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 75.1 m -110.35 135.55 50.89 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.223 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.5 mt -123.46 135.18 64.13 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.4 m -109.74 131.31 55.18 Favored 'General case' 0 C--N 1.293 -1.856 0 C-N-CA 119.792 -0.763 . . . . 0.0 110.48 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.6 m . . . . . 0 C--N 1.292 -1.893 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.195 179.784 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 43.2 t80 . . . . . 0 N--CA 1.431 -1.421 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.2 m -106.81 131.32 54.05 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 120.88 0.372 . . . . 0.0 110.464 -177.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -124.27 149.11 46.86 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 80.6 m -112.6 128.48 56.38 Favored 'General case' 0 C--N 1.293 -1.888 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.968 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -125.7 146.39 49.76 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.129 -177.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 84.9 m -111.82 130.51 55.79 Favored 'General case' 0 C--N 1.285 -2.233 0 C-N-CA 119.45 -0.9 . . . . 0.0 109.358 174.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -126.82 106.48 9.37 Favored 'General case' 0 N--CA 1.416 -2.142 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.226 -175.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 57.1 42.08 26.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.841 172.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.49 -17.74 58.43 Favored Glycine 0 N--CA 1.435 -1.401 0 CA-C-N 115.79 -0.641 . . . . 0.0 113.436 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 52.1 t -103.16 124.94 57.61 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 73.5 m -95.67 131.72 41.62 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.853 -0.739 . . . . 0.0 110.541 178.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -135.29 130.28 34.87 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.829 -174.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 65.3 m -100.3 135.08 42.29 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.34 176.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.4 tp -116.77 137.17 51.5 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 -177.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.1 m -113.67 124.61 52.72 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.2 m . . . . . 0 C--N 1.282 -2.338 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 178.746 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.3 t80 . . . . . 0 N--CA 1.431 -1.385 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.8 m -107.89 129.62 55.07 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 121.316 0.579 . . . . 0.0 111.404 -178.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -111.9 135.26 52.75 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.521 175.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 69.4 m -102.71 128.59 49.37 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 120.09 -0.644 . . . . 0.0 112.657 -178.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 mp -118.21 134.56 54.9 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 78.1 m -97.37 131.85 43.65 Favored 'General case' 0 C--N 1.279 -2.481 0 C-N-CA 118.566 -1.254 . . . . 0.0 111.323 178.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -132.09 107.95 8.98 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.669 -174.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 54.17 45.39 27.51 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 124.242 1.017 . . . . 0.0 112.071 173.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.08 -21.55 41.43 Favored Glycine 0 N--CA 1.431 -1.643 0 CA-C-N 115.651 -0.704 . . . . 0.0 113.827 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.6 t -106.45 130.14 58.7 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.239 0 O-C-N 121.896 -0.767 . . . . 0.0 109.144 -179.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 60.8 m -95.59 128.3 42.35 Favored 'General case' 0 C--N 1.292 -1.91 0 C-N-CA 118.933 -1.107 . . . . 0.0 110.434 178.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -119.74 138.5 53.28 Favored 'General case' 0 N--CA 1.412 -2.346 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.586 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.5 m -113.11 135.2 54.06 Favored 'General case' 0 C--N 1.281 -2.41 0 C-N-CA 119.417 -0.913 . . . . 0.0 110.424 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.4 mt -106.61 129.61 59.8 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.4 m -111.46 129.66 55.96 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 121.316 0.579 . . . . 0.0 110.409 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.4 m . . . . . 0 C--N 1.287 -2.137 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.624 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.8 t80 . . . . . 0 N--CA 1.421 -1.893 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.2 m -98.2 124.22 42.66 Favored 'General case' 0 C--N 1.29 -2.016 0 CA-C-O 121.264 0.554 . . . . 0.0 109.809 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -127.14 131.36 50.78 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.86 -174.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 93.7 m -100.34 127.24 46.69 Favored 'General case' 0 CA--C 1.479 -1.768 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.654 176.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.0 mt -134.83 124.7 25.5 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.891 -176.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.9 m -103.94 135.1 46.1 Favored 'General case' 0 C--N 1.287 -2.15 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 173.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -143.11 117.52 9.67 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -176.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 59.19 34.8 23.35 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.784 0.834 . . . . 0.0 112.013 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.51 -4.96 85.75 Favored Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.639 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 83.1 t -95.46 114.32 31.83 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 91.5 m -99.0 126.08 44.61 Favored 'General case' 0 CA--C 1.483 -1.611 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.21 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -142.07 123.18 14.62 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.174 -177.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.7 m -98.6 135.24 40.41 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.0 tt -134.54 142.67 39.96 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.4 m -111.99 125.36 53.99 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.0 m . . . . . 0 C--N 1.28 -2.413 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 179.915 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.263 -0.335 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -94.75 132.02 39.96 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.0 m -108.99 133.36 53.09 Favored 'General case' 0 C--N 1.287 -2.127 0 CA-C-O 121.48 0.657 . . . . 0.0 111.679 -176.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -137.0 154.24 50.46 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 65.2 m -117.47 134.0 55.34 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.332 -0.947 . . . . 0.0 112.403 -176.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.9 tp -117.66 131.72 56.6 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.5 m -114.82 140.26 49.08 Favored 'General case' 0 C--N 1.287 -2.148 0 C-N-CA 119.61 -0.836 . . . . 0.0 110.472 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -129.33 105.42 8.11 Favored 'General case' 0 N--CA 1.426 -1.668 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 61.13 35.67 18.5 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 122.445 1.117 . . . . 0.0 110.943 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.2 -14.01 66.17 Favored Glycine 0 N--CA 1.435 -1.409 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.909 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.8 t -92.77 114.6 29.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 70.8 m -97.17 132.22 43.15 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-O 121.834 0.826 . . . . 0.0 112.713 -176.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -122.31 127.02 49.32 Favored 'General case' 0 C--N 1.287 -2.143 0 CA-C-N 114.416 -1.266 . . . . 0.0 108.094 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.0 m -99.35 135.3 40.96 Favored 'General case' 0 C--N 1.278 -2.533 0 C-N-CA 119.468 -0.893 . . . . 0.0 109.314 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.7 tp -126.85 126.51 68.63 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.947 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.447 -175.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.6 m -98.1 131.89 44.11 Favored 'General case' 0 C--N 1.281 -2.373 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.282 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.8 m -130.78 122.81 27.86 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.4 ptt85 . . . . . 0 N--CA 1.488 1.439 0 C-N-CA 126.076 1.75 . . . . 0.0 112.595 -178.793 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.688 0 N-CA-C 111.787 -0.525 . . . . 0.0 111.787 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -85.43 116.13 23.56 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.9 m -96.37 123.56 40.06 Favored 'General case' 0 N--CA 1.418 -2.055 0 CA-C-O 121.636 0.731 . . . . 0.0 111.255 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -112.68 116.43 30.13 Favored 'General case' 0 C--N 1.279 -2.489 0 CA-C-N 114.533 -1.212 . . . . 0.0 108.774 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 84.8 m -99.88 127.39 46.06 Favored 'General case' 0 C--N 1.285 -2.215 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 pp -134.84 145.75 48.62 Favored 'General case' 0 C--N 1.282 -2.357 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.665 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.7 m -105.24 129.78 53.53 Favored 'General case' 0 C--N 1.284 -2.267 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.093 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -129.05 110.91 12.44 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.786 -173.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 59.49 34.53 22.57 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 122.673 1.225 . . . . 0.0 111.051 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.3 -18.02 57.16 Favored Glycine 0 N--CA 1.432 -1.611 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.929 177.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.9 t -97.9 130.43 46.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.8 m -95.64 128.44 42.5 Favored 'General case' 0 C--N 1.295 -1.786 0 C-N-CA 118.401 -1.32 . . . . 0.0 110.762 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -124.66 121.91 36.04 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 -172.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.8 m -103.62 135.78 44.56 Favored 'General case' 0 C--N 1.288 -2.095 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 tp -127.35 121.99 58.61 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 C-N-CA 123.246 0.618 . . . . 0.0 109.468 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.7 m -104.94 128.77 53.33 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 121.171 0.51 . . . . 0.0 109.752 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.7 m -139.79 126.75 20.88 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 121.939 0.876 . . . . 0.0 109.656 179.156 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.559 -0.216 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -103.88 124.45 48.98 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.6 m -101.28 127.47 47.87 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.477 0.656 . . . . 0.0 111.405 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -111.16 124.36 52.04 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.251 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 86.4 m -103.71 137.72 41.35 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -133.23 138.55 46.55 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.161 176.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 63.2 m -113.34 139.33 48.95 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 119.974 -0.691 . . . . 0.0 111.469 -177.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -139.55 114.1 9.2 Favored 'General case' 0 N--CA 1.424 -1.755 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.44 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 53.58 41.59 32.06 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.93 1.292 . . . . 0.0 111.895 175.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.21 -13.78 66.65 Favored Glycine 0 N--CA 1.429 -1.772 0 CA-C-N 115.685 -0.688 . . . . 0.0 114.295 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.3 p -106.95 124.36 62.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 C-N-CA 119.4 -0.92 . . . . 0.0 109.703 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.3 m -96.16 129.97 43.32 Favored 'General case' 0 N--CA 1.418 -2.075 0 CA-C-O 121.314 0.578 . . . . 0.0 111.042 178.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -116.82 144.7 44.18 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.6 m -129.52 136.13 49.47 Favored 'General case' 0 C--N 1.288 -2.107 0 C-N-CA 119.614 -0.835 . . . . 0.0 109.329 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.2 mt -108.24 129.63 62.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.3 m -110.51 124.41 51.76 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 119.941 -0.704 . . . . 0.0 110.66 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.6 m -135.95 124.31 23.35 Favored 'General case' 0 C--N 1.285 -2.229 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 -178.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 . . . . . 0 N--CA 1.478 0.953 0 C-N-CA 124.182 0.993 . . . . 0.0 110.142 177.397 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.798 0 N-CA-C 112.934 -0.066 . . . . 0.0 112.934 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -104.23 126.42 51.33 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 55.8 m -94.51 133.44 38.12 Favored 'General case' 0 C--N 1.285 -2.207 0 C-N-CA 119.826 -0.75 . . . . 0.0 112.323 -176.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -120.69 137.33 54.53 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.76 -1.109 . . . . 0.0 108.291 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 78.8 m -103.03 134.79 45.87 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-O 121.461 0.648 . . . . 0.0 112.585 -176.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.0 tp -119.83 111.71 18.31 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.7 m -97.94 136.96 37.49 Favored 'General case' 0 C--N 1.283 -2.283 0 CA-C-O 121.349 0.595 . . . . 0.0 110.499 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -134.76 114.99 13.21 Favored 'General case' 0 N--CA 1.419 -1.977 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.805 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 59.23 34.77 23.25 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.181 0.993 . . . . 0.0 110.779 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.46 -13.74 65.73 Favored Glycine 0 N--CA 1.437 -1.265 0 CA-C-N 115.884 -0.598 . . . . 0.0 113.466 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.3 t -94.56 126.33 47.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.1 m -103.58 126.64 50.86 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 119.449 -0.901 . . . . 0.0 112.746 -178.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -117.08 125.97 52.12 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 114.623 -1.171 . . . . 0.0 107.862 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.4 m -106.18 135.85 46.94 Favored 'General case' 0 C--N 1.284 -2.266 0 C-N-CA 119.454 -0.898 . . . . 0.0 110.534 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.9 mt -120.67 137.58 53.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -177.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 55.8 m -104.42 130.15 52.33 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.627 0.727 . . . . 0.0 111.746 -178.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.6 m -131.91 119.39 21.08 Favored 'General case' 0 N--CA 1.422 -1.861 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.459 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 . . . . . 0 CA--C 1.541 0.621 0 CA-C-O 122.101 0.953 . . . . 0.0 109.601 178.302 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.142 0 N-CA-C 112.291 -0.324 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -85.55 113.01 21.46 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 59.2 m -93.28 135.91 34.05 Favored 'General case' 0 C--N 1.284 -2.259 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.759 -175.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -127.03 142.87 51.44 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 95.9 m -111.81 127.62 55.87 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.876 176.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.3 mt -126.62 122.64 35.6 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-N 115.014 -0.994 . . . . 0.0 108.937 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.6 m -101.88 138.2 39.17 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.597 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -137.55 99.62 3.99 Favored 'General case' 0 N--CA 1.415 -2.192 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.582 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 53.53 48.75 21.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.923 -1.035 . . . . 0.0 112.793 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.19 -20.09 49.71 Favored Glycine 0 N--CA 1.428 -1.848 0 CA-C-N 115.415 -0.812 . . . . 0.0 113.188 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.8 t -93.04 113.99 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.109 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.8 m -96.71 126.04 41.59 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.707 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -123.73 106.41 10.49 Favored 'General case' 0 C--N 1.278 -2.541 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.677 -173.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.1 m -97.59 134.81 40.3 Favored 'General case' 0 C--N 1.286 -2.19 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 173.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.5 tp -138.71 144.81 29.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 48.6 m -105.59 132.07 52.19 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-O 121.535 0.683 . . . . 0.0 112.075 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 m -109.55 104.69 13.77 Favored 'General case' 0 N--CA 1.425 -1.721 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 . . . . . 0 N--CA 1.5 2.071 0 C-N-CA 125.391 1.477 . . . . 0.0 112.541 179.702 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.578 0 N-CA-C 111.911 -0.476 . . . . 0.0 111.911 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -97.84 123.54 41.85 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.1 m -103.31 131.58 50.26 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.098 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -129.53 137.54 50.84 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 85.7 m -101.61 125.59 48.29 Favored 'General case' 0 N--CA 1.418 -2.042 0 CA-C-O 121.528 0.68 . . . . 0.0 111.32 176.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.1 mt -108.26 111.84 24.01 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 114.101 -1.409 . . . . 0.0 107.56 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 m -105.71 144.17 32.84 Favored 'General case' 0 C--N 1.281 -2.382 0 CA-C-O 121.034 0.445 . . . . 0.0 110.887 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -137.71 115.43 11.37 Favored 'General case' 0 N--CA 1.427 -1.605 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 55.93 37.99 29.48 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.897 0.879 . . . . 0.0 112.761 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.31 -20.08 48.48 Favored Glycine 0 N--CA 1.43 -1.711 0 CA-C-N 115.598 -0.728 . . . . 0.0 113.452 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t -89.69 121.69 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.041 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.2 m -101.21 133.84 45.15 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -177.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -118.89 114.58 22.82 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 114.437 -1.256 . . . . 0.0 107.94 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.9 m -98.8 135.98 39.48 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 120.312 -0.555 . . . . 0.0 111.013 -177.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.0 tt -129.61 144.16 38.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.536 -177.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.7 m -120.18 128.07 53.05 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.287 0.565 . . . . 0.0 110.802 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.493 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 29.2 m -140.24 135.52 32.41 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 17' ' ' THR . 16.9 ptt-85 . . . . . 0 N--CA 1.501 2.116 0 C-N-CA 126.013 1.725 . . . . 0.0 111.838 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.588 0 N-CA-C 112.186 -0.366 . . . . 0.0 112.186 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -93.23 129.19 39.36 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.0 m -104.65 123.68 48.01 Favored 'General case' 0 N--CA 1.418 -2.061 0 CA-C-O 121.808 0.813 . . . . 0.0 111.104 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -116.33 136.99 52.52 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.5 m -100.15 127.28 46.43 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.168 -1.013 . . . . 0.0 112.141 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -120.76 146.42 46.51 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 114.546 -1.207 . . . . 0.0 107.986 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.6 m -113.19 125.52 54.42 Favored 'General case' 0 C--N 1.287 -2.126 0 C-N-CA 118.567 -1.253 . . . . 0.0 111.085 176.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.8 ttm-85 -109.68 100.24 9.3 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-N 114.492 -1.231 . . . . 0.0 108.386 -175.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 57.47 41.67 25.7 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 123.722 0.809 . . . . 0.0 111.656 175.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.55 -24.23 28.65 Favored Glycine 0 N--CA 1.434 -1.5 0 CA-C-N 115.348 -0.842 . . . . 0.0 113.126 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.4 t -90.35 121.87 41.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 82.4 m -95.64 134.82 38.1 Favored 'General case' 0 C--N 1.285 -2.214 0 C-N-CA 119.276 -0.97 . . . . 0.0 111.909 -176.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -136.29 133.02 36.49 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.876 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.6 m -95.03 135.65 36.31 Favored 'General case' 0 C--N 1.283 -2.298 0 C-N-CA 120.239 -0.584 . . . . 0.0 109.502 175.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.6 mm -119.83 140.19 44.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.7 m -116.29 129.25 56.18 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.245 0.545 . . . . 0.0 110.671 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.8 m -138.97 128.64 24.68 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 122.913 1.34 . . . . 0.0 109.454 -176.865 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.191 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -98.61 113.45 25.5 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.9 m -92.62 124.29 36.53 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 121.734 0.778 . . . . 0.0 110.282 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -124.88 132.8 53.26 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.781 -174.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.2 m -106.9 132.39 52.91 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.778 0.799 . . . . 0.0 112.809 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 mp -116.59 146.38 42.72 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 65.2 m -119.35 134.11 55.38 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 118.662 -1.215 . . . . 0.0 112.239 -177.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -135.23 118.08 16.2 Favored 'General case' 0 N--CA 1.427 -1.587 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.636 -175.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 58.49 34.22 23.75 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.062 0.945 . . . . 0.0 111.37 174.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.06 63.93 Favored Glycine 0 N--CA 1.436 -1.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.727 177.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.7 p -107.4 141.63 22.13 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.202 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.1 m -104.69 131.44 52.12 Favored 'General case' 0 N--CA 1.413 -2.277 0 C-N-CA 119.307 -0.957 . . . . 0.0 112.16 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -105.2 117.07 33.08 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 113.696 -1.593 . . . . 0.0 107.147 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.4 m -108.23 136.01 48.61 Favored 'General case' 0 C--N 1.277 -2.558 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.954 -178.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.8 tp -126.61 138.57 54.32 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.2 m -111.78 129.78 56.02 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.9 m -139.23 122.04 16.53 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 . . . . . 0 N--CA 1.483 1.206 0 C-N-CA 123.955 0.902 . . . . 0.0 110.595 178.484 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 112.585 -0.206 . . . . 0.0 112.585 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -101.05 121.14 41.26 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 59.6 m -94.73 125.26 39.26 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-O 121.749 0.785 . . . . 0.0 110.317 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -127.67 148.26 50.39 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 114.486 -1.234 . . . . 0.0 107.793 -177.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 80.4 m -110.77 129.9 55.72 Favored 'General case' 0 C--N 1.292 -1.904 0 C-N-CA 119.305 -0.958 . . . . 0.0 112.327 -178.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -113.17 120.0 39.72 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.5 m -107.37 138.62 43.23 Favored 'General case' 0 C--N 1.292 -1.919 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.953 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -148.29 133.56 18.45 Favored 'General case' 0 N--CA 1.425 -1.723 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 53.94 34.35 19.37 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.79 -21.33 39.81 Favored Glycine 0 N--CA 1.433 -1.532 0 CA-C-N 116.297 -0.41 . . . . 0.0 113.836 177.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -97.91 137.84 24.36 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 117.531 0.665 . . . . 0.0 109.985 -177.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.4 m -106.68 126.8 52.75 Favored 'General case' 0 N--CA 1.412 -2.341 0 CA-C-O 121.599 0.714 . . . . 0.0 111.085 177.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -112.99 112.77 24.47 Favored 'General case' 0 C--N 1.278 -2.501 0 CA-C-N 114.575 -1.193 . . . . 0.0 107.931 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 65.7 m -91.6 134.38 34.73 Favored 'General case' 0 N--CA 1.422 -1.838 0 C-N-CA 119.149 -1.02 . . . . 0.0 109.934 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.4 mm -127.67 134.01 66.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.123 -174.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 58.4 m -102.42 128.94 48.8 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 176.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.4 m -137.91 122.38 18.4 Favored 'General case' 0 C--N 1.284 -2.281 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 . . . . . 0 CA--C 1.55 0.959 0 CA-C-O 122.209 1.004 . . . . 0.0 109.883 179.136 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.455 0 N-CA-C 111.982 -0.447 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -120.48 125.06 46.94 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 177.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.9 m -109.67 136.56 48.82 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 120.63 0.252 . . . . 0.0 110.678 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -141.05 146.81 37.67 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 52.0 m -110.55 143.27 41.17 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.175 -1.01 . . . . 0.0 112.462 -176.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 99.0 mt -124.33 146.23 48.94 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.566 -1.197 . . . . 0.0 108.076 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.0 m -120.16 133.22 55.55 Favored 'General case' 0 C--N 1.292 -1.932 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.342 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -118.03 93.44 4.14 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.844 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 53.85 50.52 16.72 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 114.54 -1.209 . . . . 0.0 112.152 174.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.63 -18.07 58.1 Favored Glycine 0 C--N 1.292 -1.912 0 CA-C-N 114.622 -1.172 . . . . 0.0 113.739 177.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.7 t -100.01 114.58 38.91 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.2 m -95.83 134.71 38.46 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.77 -0.772 . . . . 0.0 111.804 -177.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -127.0 131.93 50.89 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.748 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.1 m -102.93 135.67 44.17 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 119.147 -1.021 . . . . 0.0 109.685 176.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mp -116.12 131.24 69.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.5 m -117.0 129.07 55.78 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 177.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.7 m -140.21 129.23 23.5 Favored 'General case' 0 C--N 1.281 -2.399 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 121.971 0.891 . . . . 0.0 110.846 175.459 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.752 -0.139 . . . . 0.0 112.752 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -105.89 113.6 27.25 Favored 'General case' 0 N--CA 1.428 -1.565 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.5 m -88.98 123.53 33.39 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 121.841 0.829 . . . . 0.0 111.076 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -123.34 137.75 54.76 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 114.267 -1.333 . . . . 0.0 108.662 -174.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 79.2 m -107.38 132.73 52.85 Favored 'General case' 0 C--N 1.293 -1.856 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.053 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.3 tp -130.43 127.57 39.56 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 115.288 -0.869 . . . . 0.0 108.834 -177.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 76.2 m -93.88 132.0 38.74 Favored 'General case' 0 C--N 1.292 -1.912 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.594 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -119.11 97.5 5.71 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-N 114.541 -1.209 . . . . 0.0 108.806 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 58.96 39.54 23.49 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 124.12 0.968 . . . . 0.0 112.907 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.17 -17.71 58.29 Favored Glycine 0 C--N 1.3 -1.436 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.873 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.5 t -97.01 118.14 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.25 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 177.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 85.2 m -94.94 136.74 34.9 Favored 'General case' 0 C--N 1.285 -2.237 0 C-N-CA 119.196 -1.002 . . . . 0.0 111.592 -176.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -130.02 146.06 51.68 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.4 m -115.37 135.63 53.93 Favored 'General case' 0 C--N 1.285 -2.202 0 C-N-CA 119.343 -0.943 . . . . 0.0 108.99 175.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.8 tt -124.59 136.34 60.97 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.2 m -105.86 130.52 53.81 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.3 m -133.93 119.31 18.93 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -178.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 45.9 ttp180 . . . . . 0 CA--C 1.553 1.066 0 CA-C-O 122.187 0.994 . . . . 0.0 110.228 177.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.291 0 N-CA-C 111.7 -0.56 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -97.66 120.49 38.14 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.2 m -106.43 126.03 51.75 Favored 'General case' 0 C--N 1.292 -1.908 0 CA-C-O 121.861 0.839 . . . . 0.0 113.089 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -96.78 113.87 25.46 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 78.2 m -100.64 135.01 42.75 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -174.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -144.56 146.35 32.3 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.358 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 61.5 m -111.14 134.7 52.53 Favored 'General case' 0 C--N 1.285 -2.228 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 175.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -130.89 115.26 16.32 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.396 -177.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 57.37 36.68 27.44 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 122.443 1.116 . . . . 0.0 110.238 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.19 -18.88 42.29 Favored Glycine 0 N--CA 1.427 -1.941 0 CA-C-N 114.719 -1.128 . . . . 0.0 112.937 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t -84.17 115.67 26.67 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 71.6 m -95.07 129.09 42.29 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-O 121.598 0.713 . . . . 0.0 111.082 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -142.14 143.14 32.86 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.67 -174.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.0 m -115.68 135.77 53.72 Favored 'General case' 0 N--CA 1.42 -1.94 0 C-N-CA 119.813 -0.755 . . . . 0.0 109.701 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.6 mm -94.94 108.86 21.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.9 m -92.16 129.39 38.12 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.367 0.603 . . . . 0.0 111.492 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.8 m -136.93 108.61 7.01 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 114.541 -1.208 . . . . 0.0 108.929 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 . . . . . 0 N--CA 1.49 1.541 0 C-N-CA 124.441 1.096 . . . . 0.0 111.085 178.247 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.574 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -106.09 123.67 48.38 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 59.7 m -96.89 137.77 35.46 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 121.367 0.603 . . . . 0.0 111.963 -175.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -133.77 135.69 44.05 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 69.8 m -106.14 134.59 49.03 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -174.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mp -125.8 146.93 49.58 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.023 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.4 m -120.8 137.58 54.46 Favored 'General case' 0 C--N 1.291 -1.937 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.489 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -132.0 110.11 10.51 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.353 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 54.78 42.51 31.12 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.197 0.999 . . . . 0.0 112.383 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.63 -23.95 28.13 Favored Glycine 0 N--CA 1.432 -1.573 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.608 177.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.2 t -89.15 115.34 28.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 98.6 m -95.8 133.39 39.98 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-O 121.218 0.532 . . . . 0.0 111.118 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -130.98 141.28 50.24 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.233 -176.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.2 m -112.07 137.74 49.7 Favored 'General case' 0 C--N 1.288 -2.083 0 C-N-CA 119.693 -0.803 . . . . 0.0 109.644 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.0 mt -119.51 133.36 66.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 56.3 m -108.21 129.07 55.21 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.014 0.435 . . . . 0.0 110.043 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.4 m -134.94 125.45 26.7 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 122.377 1.084 . . . . 0.0 110.018 -179.828 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.761 0 N-CA-C 112.038 -0.425 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -85.12 113.24 21.36 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.1 m -109.78 132.63 53.97 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.594 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -121.86 125.68 47.0 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 106.365 -1.716 . . . . 0.0 106.365 176.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 76.6 m -100.07 136.97 39.16 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.344 0.593 . . . . 0.0 112.393 -175.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -140.46 139.48 35.19 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.737 177.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 64.8 m -108.29 144.22 36.1 Favored 'General case' 0 C--N 1.29 -1.982 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.585 -177.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -141.12 121.01 13.57 Favored 'General case' 0 N--CA 1.421 -1.9 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 47.31 43.1 14.75 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.161 1.384 . . . . 0.0 114.726 176.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.54 -9.45 77.55 Favored Glycine 0 C--N 1.298 -1.557 0 CA-C-N 115.072 -0.967 . . . . 0.0 113.686 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.5 t -105.71 124.13 60.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 74.4 m -101.7 128.59 47.94 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.833 179.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -126.79 142.3 51.58 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -176.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.4 m -120.16 135.26 55.03 Favored 'General case' 0 C--N 1.279 -2.48 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.085 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.1 tt -100.12 130.81 48.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.8 m -120.53 127.94 52.64 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.213 0.53 . . . . 0.0 110.751 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.5 m -128.45 116.63 20.02 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 177.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 . . . . . 0 N--CA 1.486 1.36 0 C-N-CA 125.572 1.549 . . . . 0.0 113.221 -179.559 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.899 0 N-CA-C 112.095 -0.402 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -99.28 124.31 44.26 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.9 m -102.29 126.96 49.45 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.779 0.799 . . . . 0.0 111.533 -176.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -115.26 137.55 51.91 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 -177.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.4 m -108.4 133.64 52.31 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 119.432 -0.907 . . . . 0.0 112.348 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 pp -141.84 146.57 36.0 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.598 -179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.4 m -111.97 134.23 53.65 Favored 'General case' 0 C--N 1.285 -2.22 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.143 178.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.39 109.61 11.95 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 -176.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 57.72 39.13 27.54 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 121.704 0.764 . . . . 0.0 112.217 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.22 -23.71 22.89 Favored Glycine 0 N--CA 1.431 -1.687 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.746 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.3 t -81.28 117.64 27.66 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.194 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.3 m -95.31 123.71 38.97 Favored 'General case' 0 N--CA 1.4 -2.926 0 CA-C-O 121.905 0.859 . . . . 0.0 110.085 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -133.05 135.01 45.11 Favored 'General case' 0 C--N 1.267 -3.014 0 CA-C-N 113.925 -1.489 . . . . 0.0 109.335 -171.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.0 m -106.11 135.0 48.34 Favored 'General case' 0 C--N 1.274 -2.699 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.0 tt -115.35 130.9 69.15 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -177.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.6 m -104.81 126.44 51.89 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-O 121.905 0.86 . . . . 0.0 110.066 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.4 m -135.26 132.96 38.44 Favored 'General case' 0 C--N 1.283 -2.291 0 N-CA-C 106.025 -1.843 . . . . 0.0 106.025 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 . . . . . 0 N--CA 1.491 1.62 0 C-N-CA 124.957 1.303 . . . . 0.0 112.616 -179.224 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.536 0 N-CA-C 112.089 -0.404 . . . . 0.0 112.089 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -114.98 136.9 52.62 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -178.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.9 m -116.45 133.09 56.41 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 120.087 -0.645 . . . . 0.0 112.553 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.9 mmm180 -112.73 120.95 43.28 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 174.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 80.6 m -99.51 128.6 45.63 Favored 'General case' 0 C--N 1.294 -1.816 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.996 -175.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.1 tp -134.13 145.43 49.29 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.955 -176.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 62.7 m -114.43 144.35 43.45 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -143.1 112.87 6.98 Favored 'General case' 0 N--CA 1.422 -1.851 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.0 mtm-85 55.68 40.81 30.92 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 124.901 1.28 . . . . 0.0 111.895 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.42 -19.92 44.27 Favored Glycine 0 N--CA 1.426 -1.974 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.782 178.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.5 t -85.71 114.59 25.77 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.5 m -97.16 127.34 43.04 Favored 'General case' 0 C--N 1.288 -2.074 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.223 177.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -138.53 140.39 39.08 Favored 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.707 -175.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.4 m -106.12 134.96 48.43 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 118.639 -1.224 . . . . 0.0 110.258 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.0 mm -96.0 108.75 21.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.2 m -103.65 120.68 41.39 Favored 'General case' 0 C--N 1.287 -2.144 0 CA-C-O 121.826 0.822 . . . . 0.0 110.73 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.0 t -139.4 132.03 28.87 Favored 'General case' 0 N--CA 1.409 -2.5 0 CA-C-N 114.252 -1.34 . . . . 0.0 108.626 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 121.927 0.87 . . . . 0.0 110.512 177.038 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.538 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -116.96 128.85 55.61 Favored 'General case' 0 N--CA 1.432 -1.339 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.4 m -98.56 128.82 45.03 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-O 121.874 0.845 . . . . 0.0 111.84 -176.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -112.36 138.27 49.32 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.8 m -117.67 122.82 44.57 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-O 121.799 0.809 . . . . 0.0 111.401 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -111.52 122.89 49.02 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-N 113.937 -1.483 . . . . 0.0 107.589 -176.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.7 m -102.3 133.69 46.8 Favored 'General case' 0 C--N 1.284 -2.258 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.086 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -138.64 120.8 15.74 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 -175.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 59.01 33.79 23.2 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.478 1.111 . . . . 0.0 112.041 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.01 6.73 89.01 Favored Glycine 0 N--CA 1.439 -1.117 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.994 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.7 t -115.56 127.86 73.0 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 177.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.8 m -97.74 130.38 44.71 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 121.763 0.792 . . . . 0.0 112.255 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -119.4 125.61 49.4 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -175.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 75.1 m -110.35 135.55 50.89 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.223 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.5 mt -123.46 135.18 64.13 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.4 m -109.74 131.31 55.18 Favored 'General case' 0 C--N 1.293 -1.856 0 C-N-CA 119.792 -0.763 . . . . 0.0 110.48 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.6 m -139.79 128.8 23.58 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.195 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 . . . . . 0 N--CA 1.495 1.796 0 C-N-CA 125.276 1.431 . . . . 0.0 110.65 178.769 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.762 0 CA-C-O 121.1 0.278 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -107.43 131.09 54.66 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -178.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.2 m -106.81 131.32 54.05 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 120.88 0.372 . . . . 0.0 110.464 -177.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -124.27 149.11 46.86 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 80.6 m -112.6 128.48 56.38 Favored 'General case' 0 C--N 1.293 -1.888 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.968 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -125.7 146.39 49.76 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.129 -177.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 84.9 m -111.82 130.51 55.79 Favored 'General case' 0 C--N 1.285 -2.233 0 C-N-CA 119.45 -0.9 . . . . 0.0 109.358 174.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -126.82 106.48 9.37 Favored 'General case' 0 N--CA 1.416 -2.142 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.226 -175.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 57.1 42.08 26.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.841 172.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.49 -17.74 58.43 Favored Glycine 0 N--CA 1.435 -1.401 0 CA-C-N 115.79 -0.641 . . . . 0.0 113.436 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 52.1 t -103.16 124.94 57.61 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 73.5 m -95.67 131.72 41.62 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.853 -0.739 . . . . 0.0 110.541 178.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -135.29 130.28 34.87 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.829 -174.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 65.3 m -100.3 135.08 42.29 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.34 176.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.4 tp -116.77 137.17 51.5 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 -177.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.1 m -113.67 124.61 52.72 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.2 m -139.85 130.03 25.15 Favored 'General case' 0 C--N 1.282 -2.338 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 178.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 . . . . . 0 CA--C 1.544 0.738 0 CA-C-O 122.065 0.936 . . . . 0.0 109.245 178.287 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.894 0 N-CA-C 112.81 -0.116 . . . . 0.0 112.81 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -94.7 126.45 40.01 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -177.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.8 m -107.89 129.62 55.07 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 121.316 0.579 . . . . 0.0 111.404 -178.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -111.9 135.26 52.75 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.521 175.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 69.4 m -102.71 128.59 49.37 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 120.09 -0.644 . . . . 0.0 112.657 -178.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 mp -118.21 134.56 54.9 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 78.1 m -97.37 131.85 43.65 Favored 'General case' 0 C--N 1.279 -2.481 0 C-N-CA 118.566 -1.254 . . . . 0.0 111.323 178.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -132.09 107.95 8.98 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.669 -174.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 54.17 45.39 27.51 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 124.242 1.017 . . . . 0.0 112.071 173.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.08 -21.55 41.43 Favored Glycine 0 N--CA 1.431 -1.643 0 CA-C-N 115.651 -0.704 . . . . 0.0 113.827 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.6 t -106.45 130.14 58.7 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.239 0 O-C-N 121.896 -0.767 . . . . 0.0 109.144 -179.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 60.8 m -95.59 128.3 42.35 Favored 'General case' 0 C--N 1.292 -1.91 0 C-N-CA 118.933 -1.107 . . . . 0.0 110.434 178.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -119.74 138.5 53.28 Favored 'General case' 0 N--CA 1.412 -2.346 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.586 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.5 m -113.11 135.2 54.06 Favored 'General case' 0 C--N 1.281 -2.41 0 C-N-CA 119.417 -0.913 . . . . 0.0 110.424 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.4 mt -106.61 129.61 59.8 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.4 m -111.46 129.66 55.96 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 121.316 0.579 . . . . 0.0 110.409 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.4 m -139.51 123.0 17.25 Favored 'General case' 0 C--N 1.287 -2.137 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.1 ttp-105 . . . . . 0 CA--C 1.541 0.602 0 CA-C-O 122.454 1.121 . . . . 0.0 109.504 175.348 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.607 0 N-CA-C 111.444 -0.662 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -93.28 113.91 26.23 Favored 'General case' 0 N--CA 1.421 -1.893 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.2 m -98.2 124.22 42.66 Favored 'General case' 0 C--N 1.29 -2.016 0 CA-C-O 121.264 0.554 . . . . 0.0 109.809 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -127.14 131.36 50.78 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.86 -174.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 93.7 m -100.34 127.24 46.69 Favored 'General case' 0 CA--C 1.479 -1.768 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.654 176.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.0 mt -134.83 124.7 25.5 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.891 -176.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.9 m -103.94 135.1 46.1 Favored 'General case' 0 C--N 1.287 -2.15 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 173.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -143.11 117.52 9.67 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -176.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 59.19 34.8 23.35 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.784 0.834 . . . . 0.0 112.013 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.51 -4.96 85.75 Favored Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.639 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 83.1 t -95.46 114.32 31.83 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 91.5 m -99.0 126.08 44.61 Favored 'General case' 0 CA--C 1.483 -1.611 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.21 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -142.07 123.18 14.62 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.174 -177.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.7 m -98.6 135.24 40.41 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.0 tt -134.54 142.67 39.96 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.4 m -111.99 125.36 53.99 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.0 m -139.22 124.48 19.09 Favored 'General case' 0 C--N 1.28 -2.413 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 . . . . . 0 N--CA 1.489 1.525 0 C-N-CA 124.274 1.03 . . . . 0.0 110.585 -177.449 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.8 t80 . . . . . 0 N--CA 1.434 -1.251 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 67.0 m -108.99 133.36 53.09 Favored 'General case' 0 C--N 1.287 -2.127 0 CA-C-O 121.48 0.657 . . . . 0.0 111.679 -176.095 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -137.0 154.24 50.46 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 65.2 m -117.47 134.0 55.34 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.332 -0.947 . . . . 0.0 112.403 -176.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.9 tp -117.66 131.72 56.6 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 61.5 m -114.82 140.26 49.08 Favored 'General case' 0 C--N 1.287 -2.148 0 C-N-CA 119.61 -0.836 . . . . 0.0 110.472 -178.245 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -129.33 105.42 8.11 Favored 'General case' 0 N--CA 1.426 -1.668 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 61.13 35.67 18.5 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 122.445 1.117 . . . . 0.0 110.943 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.2 -14.01 66.17 Favored Glycine 0 N--CA 1.435 -1.409 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.909 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.8 t -92.77 114.6 29.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 70.8 m -97.17 132.22 43.15 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-O 121.834 0.826 . . . . 0.0 112.713 -176.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -122.31 127.02 49.32 Favored 'General case' 0 C--N 1.287 -2.143 0 CA-C-N 114.416 -1.266 . . . . 0.0 108.094 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 81.0 m -99.35 135.3 40.96 Favored 'General case' 0 C--N 1.278 -2.533 0 C-N-CA 119.468 -0.893 . . . . 0.0 109.314 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.7 tp -126.85 126.51 68.63 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.947 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.447 -175.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 62.6 m -98.1 131.89 44.11 Favored 'General case' 0 C--N 1.281 -2.373 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.282 177.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.8 m . . . . . 0 C--N 1.283 -2.305 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -179.811 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.2 t80 . . . . . 0 N--CA 1.43 -1.465 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 79.9 m -96.37 123.56 40.06 Favored 'General case' 0 N--CA 1.418 -2.055 0 CA-C-O 121.636 0.731 . . . . 0.0 111.255 178.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -112.68 116.43 30.13 Favored 'General case' 0 C--N 1.279 -2.489 0 CA-C-N 114.533 -1.212 . . . . 0.0 108.774 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 84.8 m -99.88 127.39 46.06 Favored 'General case' 0 C--N 1.285 -2.215 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 pp -134.84 145.75 48.62 Favored 'General case' 0 C--N 1.282 -2.357 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.665 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 62.7 m -105.24 129.78 53.53 Favored 'General case' 0 C--N 1.284 -2.267 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.093 178.019 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -129.05 110.91 12.44 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.786 -173.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 59.49 34.53 22.57 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 122.673 1.225 . . . . 0.0 111.051 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.3 -18.02 57.16 Favored Glycine 0 N--CA 1.432 -1.611 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.929 177.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.9 t -97.9 130.43 46.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 60.8 m -95.64 128.44 42.5 Favored 'General case' 0 C--N 1.295 -1.786 0 C-N-CA 118.401 -1.32 . . . . 0.0 110.762 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -124.66 121.91 36.04 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 -172.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.8 m -103.62 135.78 44.56 Favored 'General case' 0 C--N 1.288 -2.095 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 tp -127.35 121.99 58.61 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 C-N-CA 123.246 0.618 . . . . 0.0 109.468 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 57.7 m -104.94 128.77 53.33 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 121.171 0.51 . . . . 0.0 109.752 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.7 m . . . . . 0 C--N 1.289 -2.035 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.158 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 50.3 t80 . . . . . 0 N--CA 1.438 -1.058 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.6 m -101.28 127.47 47.87 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.477 0.656 . . . . 0.0 111.405 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -111.16 124.36 52.04 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.251 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 86.4 m -103.71 137.72 41.35 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -133.23 138.55 46.55 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.161 176.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 63.2 m -113.34 139.33 48.95 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 119.974 -0.691 . . . . 0.0 111.469 -177.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -139.55 114.1 9.2 Favored 'General case' 0 N--CA 1.424 -1.755 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.44 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 53.58 41.59 32.06 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.93 1.292 . . . . 0.0 111.895 175.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.21 -13.78 66.65 Favored Glycine 0 N--CA 1.429 -1.772 0 CA-C-N 115.685 -0.688 . . . . 0.0 114.295 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.3 p -106.95 124.36 62.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 C-N-CA 119.4 -0.92 . . . . 0.0 109.703 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.3 m -96.16 129.97 43.32 Favored 'General case' 0 N--CA 1.418 -2.075 0 CA-C-O 121.314 0.578 . . . . 0.0 111.042 178.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -116.82 144.7 44.18 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.6 m -129.52 136.13 49.47 Favored 'General case' 0 C--N 1.288 -2.107 0 C-N-CA 119.614 -0.835 . . . . 0.0 109.329 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.2 mt -108.24 129.63 62.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.3 m -110.51 124.41 51.76 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 119.941 -0.704 . . . . 0.0 110.66 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.6 m . . . . . 0 C--N 1.285 -2.229 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 -178.153 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.5 t80 . . . . . 0 N--CA 1.439 -0.977 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 55.8 m -94.51 133.44 38.12 Favored 'General case' 0 C--N 1.285 -2.207 0 C-N-CA 119.826 -0.75 . . . . 0.0 112.323 -176.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -120.69 137.33 54.53 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.76 -1.109 . . . . 0.0 108.291 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 78.8 m -103.03 134.79 45.87 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-O 121.461 0.648 . . . . 0.0 112.585 -176.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.0 tp -119.83 111.71 18.31 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 57.7 m -97.94 136.96 37.49 Favored 'General case' 0 C--N 1.283 -2.283 0 CA-C-O 121.349 0.595 . . . . 0.0 110.499 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -134.76 114.99 13.21 Favored 'General case' 0 N--CA 1.419 -1.977 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.805 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 59.23 34.77 23.25 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.181 0.993 . . . . 0.0 110.779 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.46 -13.74 65.73 Favored Glycine 0 N--CA 1.437 -1.265 0 CA-C-N 115.884 -0.598 . . . . 0.0 113.466 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.3 t -94.56 126.33 47.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 74.1 m -103.58 126.64 50.86 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 119.449 -0.901 . . . . 0.0 112.746 -178.249 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -117.08 125.97 52.12 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 114.623 -1.171 . . . . 0.0 107.862 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 57.4 m -106.18 135.85 46.94 Favored 'General case' 0 C--N 1.284 -2.266 0 C-N-CA 119.454 -0.898 . . . . 0.0 110.534 -178.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.9 mt -120.67 137.58 53.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -177.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 55.8 m -104.42 130.15 52.33 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.627 0.727 . . . . 0.0 111.746 -178.122 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.6 m . . . . . 0 N--CA 1.422 -1.861 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.459 -177.668 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.6 t80 . . . . . 0 CA--C 1.508 -0.669 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 59.2 m -93.28 135.91 34.05 Favored 'General case' 0 C--N 1.284 -2.259 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.759 -175.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -127.03 142.87 51.44 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 95.9 m -111.81 127.62 55.87 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.876 176.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.3 mt -126.62 122.64 35.6 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-N 115.014 -0.994 . . . . 0.0 108.937 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 71.6 m -101.88 138.2 39.17 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.597 176.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -137.55 99.62 3.99 Favored 'General case' 0 N--CA 1.415 -2.192 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.582 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 53.53 48.75 21.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.923 -1.035 . . . . 0.0 112.793 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.19 -20.09 49.71 Favored Glycine 0 N--CA 1.428 -1.848 0 CA-C-N 115.415 -0.812 . . . . 0.0 113.188 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.8 t -93.04 113.99 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.109 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 94.8 m -96.71 126.04 41.59 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.707 177.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -123.73 106.41 10.49 Favored 'General case' 0 C--N 1.278 -2.541 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.677 -173.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 68.1 m -97.59 134.81 40.3 Favored 'General case' 0 C--N 1.286 -2.19 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 173.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.5 tp -138.71 144.81 29.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 48.6 m -105.59 132.07 52.19 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-O 121.535 0.683 . . . . 0.0 112.075 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.425 -1.721 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.219 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.2 t80 . . . . . 0 N--CA 1.442 -0.87 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.1 m -103.31 131.58 50.26 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.098 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -129.53 137.54 50.84 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 85.7 m -101.61 125.59 48.29 Favored 'General case' 0 N--CA 1.418 -2.042 0 CA-C-O 121.528 0.68 . . . . 0.0 111.32 176.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.1 mt -108.26 111.84 24.01 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 114.101 -1.409 . . . . 0.0 107.56 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 42.2 m -105.71 144.17 32.84 Favored 'General case' 0 C--N 1.281 -2.382 0 CA-C-O 121.034 0.445 . . . . 0.0 110.887 -175.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -137.71 115.43 11.37 Favored 'General case' 0 N--CA 1.427 -1.605 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 55.93 37.99 29.48 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.897 0.879 . . . . 0.0 112.761 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.31 -20.08 48.48 Favored Glycine 0 N--CA 1.43 -1.711 0 CA-C-N 115.598 -0.728 . . . . 0.0 113.452 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t -89.69 121.69 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.041 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.2 m -101.21 133.84 45.15 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -177.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -118.89 114.58 22.82 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 114.437 -1.256 . . . . 0.0 107.94 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.9 m -98.8 135.98 39.48 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 120.312 -0.555 . . . . 0.0 111.013 -177.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.0 tt -129.61 144.16 38.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.536 -177.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.7 m -120.18 128.07 53.05 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.287 0.565 . . . . 0.0 110.802 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.2 m . . . . . 0 C--N 1.298 -1.662 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.386 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.7 t80 . . . . . 0 N--CA 1.434 -1.232 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.0 m -104.65 123.68 48.01 Favored 'General case' 0 N--CA 1.418 -2.061 0 CA-C-O 121.808 0.813 . . . . 0.0 111.104 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -116.33 136.99 52.52 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.5 m -100.15 127.28 46.43 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.168 -1.013 . . . . 0.0 112.141 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -120.76 146.42 46.51 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 114.546 -1.207 . . . . 0.0 107.986 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 64.6 m -113.19 125.52 54.42 Favored 'General case' 0 C--N 1.287 -2.126 0 C-N-CA 118.567 -1.253 . . . . 0.0 111.085 176.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.8 ttm-85 -109.68 100.24 9.3 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-N 114.492 -1.231 . . . . 0.0 108.386 -175.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 57.47 41.67 25.7 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 123.722 0.809 . . . . 0.0 111.656 175.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.55 -24.23 28.65 Favored Glycine 0 N--CA 1.434 -1.5 0 CA-C-N 115.348 -0.842 . . . . 0.0 113.126 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.4 t -90.35 121.87 41.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 82.4 m -95.64 134.82 38.1 Favored 'General case' 0 C--N 1.285 -2.214 0 C-N-CA 119.276 -0.97 . . . . 0.0 111.909 -176.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -136.29 133.02 36.49 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.876 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.6 m -95.03 135.65 36.31 Favored 'General case' 0 C--N 1.283 -2.298 0 C-N-CA 120.239 -0.584 . . . . 0.0 109.502 175.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.6 mm -119.83 140.19 44.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.7 m -116.29 129.25 56.18 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.245 0.545 . . . . 0.0 110.671 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.8 m . . . . . 0 C--N 1.294 -1.831 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.067 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 81.9 t80 . . . . . 0 N--CA 1.428 -1.532 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.9 m -92.62 124.29 36.53 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 121.734 0.778 . . . . 0.0 110.282 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -124.88 132.8 53.26 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.781 -174.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 71.2 m -106.9 132.39 52.91 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.778 0.799 . . . . 0.0 112.809 -178.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 mp -116.59 146.38 42.72 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 65.2 m -119.35 134.11 55.38 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 118.662 -1.215 . . . . 0.0 112.239 -177.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -135.23 118.08 16.2 Favored 'General case' 0 N--CA 1.427 -1.587 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.636 -175.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 58.49 34.22 23.75 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.062 0.945 . . . . 0.0 111.37 174.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.06 63.93 Favored Glycine 0 N--CA 1.436 -1.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.727 177.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.7 p -107.4 141.63 22.13 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.202 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.1 m -104.69 131.44 52.12 Favored 'General case' 0 N--CA 1.413 -2.277 0 C-N-CA 119.307 -0.957 . . . . 0.0 112.16 -177.329 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -105.2 117.07 33.08 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 113.696 -1.593 . . . . 0.0 107.147 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.4 m -108.23 136.01 48.61 Favored 'General case' 0 C--N 1.277 -2.558 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.954 -178.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.8 tp -126.61 138.57 54.32 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.2 m -111.78 129.78 56.02 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.9 m . . . . . 0 C--N 1.29 -1.988 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -179.481 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 83.5 t80 . . . . . 0 N--CA 1.439 -0.988 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 59.6 m -94.73 125.26 39.26 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-O 121.749 0.785 . . . . 0.0 110.317 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -127.67 148.26 50.39 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 114.486 -1.234 . . . . 0.0 107.793 -177.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 80.4 m -110.77 129.9 55.72 Favored 'General case' 0 C--N 1.292 -1.904 0 C-N-CA 119.305 -0.958 . . . . 0.0 112.327 -178.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -113.17 120.0 39.72 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 57.5 m -107.37 138.62 43.23 Favored 'General case' 0 C--N 1.292 -1.919 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.953 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -148.29 133.56 18.45 Favored 'General case' 0 N--CA 1.425 -1.723 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 53.94 34.35 19.37 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.79 -21.33 39.81 Favored Glycine 0 N--CA 1.433 -1.532 0 CA-C-N 116.297 -0.41 . . . . 0.0 113.836 177.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -97.91 137.84 24.36 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 117.531 0.665 . . . . 0.0 109.985 -177.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.4 m -106.68 126.8 52.75 Favored 'General case' 0 N--CA 1.412 -2.341 0 CA-C-O 121.599 0.714 . . . . 0.0 111.085 177.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -112.99 112.77 24.47 Favored 'General case' 0 C--N 1.278 -2.501 0 CA-C-N 114.575 -1.193 . . . . 0.0 107.931 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 65.7 m -91.6 134.38 34.73 Favored 'General case' 0 N--CA 1.422 -1.838 0 C-N-CA 119.149 -1.02 . . . . 0.0 109.934 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.4 mm -127.67 134.01 66.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.123 -174.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 58.4 m -102.42 128.94 48.8 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 176.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.4 m . . . . . 0 C--N 1.284 -2.281 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -179.001 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.6 t80 . . . . . 0 N--CA 1.434 -1.226 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.9 m -109.67 136.56 48.82 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 120.63 0.252 . . . . 0.0 110.678 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -141.05 146.81 37.67 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 52.0 m -110.55 143.27 41.17 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.175 -1.01 . . . . 0.0 112.462 -176.01 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 99.0 mt -124.33 146.23 48.94 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.566 -1.197 . . . . 0.0 108.076 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 84.0 m -120.16 133.22 55.55 Favored 'General case' 0 C--N 1.292 -1.932 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.342 177.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -118.03 93.44 4.14 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.844 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 53.85 50.52 16.72 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 114.54 -1.209 . . . . 0.0 112.152 174.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.63 -18.07 58.1 Favored Glycine 0 C--N 1.292 -1.912 0 CA-C-N 114.622 -1.172 . . . . 0.0 113.739 177.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.7 t -100.01 114.58 38.91 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 71.2 m -95.83 134.71 38.46 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.77 -0.772 . . . . 0.0 111.804 -177.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -127.0 131.93 50.89 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.748 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.1 m -102.93 135.67 44.17 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 119.147 -1.021 . . . . 0.0 109.685 176.5 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mp -116.12 131.24 69.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.5 m -117.0 129.07 55.78 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 177.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.7 m . . . . . 0 C--N 1.281 -2.399 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.659 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.0 t80 . . . . . 0 N--CA 1.428 -1.565 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 72.5 m -88.98 123.53 33.39 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 121.841 0.829 . . . . 0.0 111.076 178.13 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -123.34 137.75 54.76 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 114.267 -1.333 . . . . 0.0 108.662 -174.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 79.2 m -107.38 132.73 52.85 Favored 'General case' 0 C--N 1.293 -1.856 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.053 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.3 tp -130.43 127.57 39.56 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 115.288 -0.869 . . . . 0.0 108.834 -177.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 76.2 m -93.88 132.0 38.74 Favored 'General case' 0 C--N 1.292 -1.912 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.594 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -119.11 97.5 5.71 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-N 114.541 -1.209 . . . . 0.0 108.806 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 58.96 39.54 23.49 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 124.12 0.968 . . . . 0.0 112.907 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.17 -17.71 58.29 Favored Glycine 0 C--N 1.3 -1.436 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.873 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.5 t -97.01 118.14 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.25 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 177.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 85.2 m -94.94 136.74 34.9 Favored 'General case' 0 C--N 1.285 -2.237 0 C-N-CA 119.196 -1.002 . . . . 0.0 111.592 -176.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -130.02 146.06 51.68 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 64.4 m -115.37 135.63 53.93 Favored 'General case' 0 C--N 1.285 -2.202 0 C-N-CA 119.343 -0.943 . . . . 0.0 108.99 175.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.8 tt -124.59 136.34 60.97 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 57.2 m -105.86 130.52 53.81 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.3 m . . . . . 0 C--N 1.292 -1.912 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -178.274 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.0 t80 . . . . . 0 N--CA 1.442 -0.832 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 59.2 m -106.43 126.03 51.75 Favored 'General case' 0 C--N 1.292 -1.908 0 CA-C-O 121.861 0.839 . . . . 0.0 113.089 -175.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -96.78 113.87 25.46 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 78.2 m -100.64 135.01 42.75 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -174.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -144.56 146.35 32.3 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.358 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 61.5 m -111.14 134.7 52.53 Favored 'General case' 0 C--N 1.285 -2.228 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 175.083 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -130.89 115.26 16.32 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.396 -177.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 57.37 36.68 27.44 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 122.443 1.116 . . . . 0.0 110.238 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.19 -18.88 42.29 Favored Glycine 0 N--CA 1.427 -1.941 0 CA-C-N 114.719 -1.128 . . . . 0.0 112.937 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t -84.17 115.67 26.67 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 71.6 m -95.07 129.09 42.29 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-O 121.598 0.713 . . . . 0.0 111.082 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -142.14 143.14 32.86 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.67 -174.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.0 m -115.68 135.77 53.72 Favored 'General case' 0 N--CA 1.42 -1.94 0 C-N-CA 119.813 -0.755 . . . . 0.0 109.701 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.6 mm -94.94 108.86 21.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 85.9 m -92.16 129.39 38.12 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.367 0.603 . . . . 0.0 111.492 -179.118 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.8 m . . . . . 0 C--N 1.294 -1.811 0 CA-C-N 114.541 -1.208 . . . . 0.0 108.929 -177.945 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.8 t80 . . . . . 0 N--CA 1.436 -1.136 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 59.7 m -96.89 137.77 35.46 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 121.367 0.603 . . . . 0.0 111.963 -175.361 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -133.77 135.69 44.05 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 69.8 m -106.14 134.59 49.03 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -174.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mp -125.8 146.93 49.58 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.023 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 85.4 m -120.8 137.58 54.46 Favored 'General case' 0 C--N 1.291 -1.937 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.489 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -132.0 110.11 10.51 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.353 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 54.78 42.51 31.12 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.197 0.999 . . . . 0.0 112.383 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.63 -23.95 28.13 Favored Glycine 0 N--CA 1.432 -1.573 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.608 177.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.2 t -89.15 115.34 28.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 98.6 m -95.8 133.39 39.98 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-O 121.218 0.532 . . . . 0.0 111.118 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -130.98 141.28 50.24 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.233 -176.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 73.2 m -112.07 137.74 49.7 Favored 'General case' 0 C--N 1.288 -2.083 0 C-N-CA 119.693 -0.803 . . . . 0.0 109.644 178.248 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.0 mt -119.51 133.36 66.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 56.3 m -108.21 129.07 55.21 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.014 0.435 . . . . 0.0 110.043 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.4 m . . . . . 0 C--N 1.293 -1.867 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 -179.732 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.7 t80 . . . . . 0 N--CA 1.443 -0.794 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.1 m -109.78 132.63 53.97 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.594 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -121.86 125.68 47.0 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 106.365 -1.716 . . . . 0.0 106.365 176.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 76.6 m -100.07 136.97 39.16 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.344 0.593 . . . . 0.0 112.393 -175.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -140.46 139.48 35.19 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.737 177.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 64.8 m -108.29 144.22 36.1 Favored 'General case' 0 C--N 1.29 -1.982 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.585 -177.325 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -141.12 121.01 13.57 Favored 'General case' 0 N--CA 1.421 -1.9 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 47.31 43.1 14.75 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.161 1.384 . . . . 0.0 114.726 176.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.54 -9.45 77.55 Favored Glycine 0 C--N 1.298 -1.557 0 CA-C-N 115.072 -0.967 . . . . 0.0 113.686 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.5 t -105.71 124.13 60.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 74.4 m -101.7 128.59 47.94 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.833 179.095 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -126.79 142.3 51.58 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -176.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 51.4 m -120.16 135.26 55.03 Favored 'General case' 0 C--N 1.279 -2.48 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.085 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.1 tt -100.12 130.81 48.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.8 m -120.53 127.94 52.64 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.213 0.53 . . . . 0.0 110.751 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.5 m . . . . . 0 C--N 1.29 -1.988 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 177.746 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.8 t80 . . . . . 0 N--CA 1.439 -0.997 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.9 m -102.29 126.96 49.45 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.779 0.799 . . . . 0.0 111.533 -176.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -115.26 137.55 51.91 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 -177.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 73.4 m -108.4 133.64 52.31 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 119.432 -0.907 . . . . 0.0 112.348 -178.385 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 pp -141.84 146.57 36.0 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.598 -179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 49.4 m -111.97 134.23 53.65 Favored 'General case' 0 C--N 1.285 -2.22 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.143 178.424 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.39 109.61 11.95 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 -176.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 57.72 39.13 27.54 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 121.704 0.764 . . . . 0.0 112.217 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.22 -23.71 22.89 Favored Glycine 0 N--CA 1.431 -1.687 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.746 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.3 t -81.28 117.64 27.66 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.194 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 75.3 m -95.31 123.71 38.97 Favored 'General case' 0 N--CA 1.4 -2.926 0 CA-C-O 121.905 0.859 . . . . 0.0 110.085 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -133.05 135.01 45.11 Favored 'General case' 0 C--N 1.267 -3.014 0 CA-C-N 113.925 -1.489 . . . . 0.0 109.335 -171.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 64.0 m -106.11 135.0 48.34 Favored 'General case' 0 C--N 1.274 -2.699 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.0 tt -115.35 130.9 69.15 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -177.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.6 m -104.81 126.44 51.89 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-O 121.905 0.86 . . . . 0.0 110.066 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.4 m . . . . . 0 C--N 1.283 -2.291 0 N-CA-C 106.025 -1.843 . . . . 0.0 106.025 179.156 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.7 t80 . . . . . 0 N--CA 1.435 -1.18 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.9 m -116.45 133.09 56.41 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 120.087 -0.645 . . . . 0.0 112.553 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.9 mmm180 -112.73 120.95 43.28 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 174.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 80.6 m -99.51 128.6 45.63 Favored 'General case' 0 C--N 1.294 -1.816 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.996 -175.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.1 tp -134.13 145.43 49.29 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.955 -176.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 62.7 m -114.43 144.35 43.45 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -143.1 112.87 6.98 Favored 'General case' 0 N--CA 1.422 -1.851 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.0 mtm-85 55.68 40.81 30.92 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 124.901 1.28 . . . . 0.0 111.895 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.42 -19.92 44.27 Favored Glycine 0 N--CA 1.426 -1.974 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.782 178.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.5 t -85.71 114.59 25.77 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.5 m -97.16 127.34 43.04 Favored 'General case' 0 C--N 1.288 -2.074 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.223 177.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -138.53 140.39 39.08 Favored 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.707 -175.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.4 m -106.12 134.96 48.43 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 118.639 -1.224 . . . . 0.0 110.258 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.0 mm -96.0 108.75 21.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.2 m -103.65 120.68 41.39 Favored 'General case' 0 C--N 1.287 -2.144 0 CA-C-O 121.826 0.822 . . . . 0.0 110.73 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.409 -2.5 0 CA-C-N 114.252 -1.34 . . . . 0.0 108.626 -178.599 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 82.7 t80 . . . . . 0 N--CA 1.432 -1.339 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 71.4 m -98.56 128.82 45.03 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-O 121.874 0.845 . . . . 0.0 111.84 -176.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -112.36 138.27 49.32 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.8 m -117.67 122.82 44.57 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-O 121.799 0.809 . . . . 0.0 111.401 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -111.52 122.89 49.02 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-N 113.937 -1.483 . . . . 0.0 107.589 -176.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 60.7 m -102.3 133.69 46.8 Favored 'General case' 0 C--N 1.284 -2.258 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.086 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -138.64 120.8 15.74 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 -175.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 59.01 33.79 23.2 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.478 1.111 . . . . 0.0 112.041 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.01 6.73 89.01 Favored Glycine 0 N--CA 1.439 -1.117 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.994 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.7 t -115.56 127.86 73.0 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 177.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 80.8 m -97.74 130.38 44.71 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 121.763 0.792 . . . . 0.0 112.255 -178.354 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -119.4 125.61 49.4 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -175.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 75.1 m -110.35 135.55 50.89 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.223 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.5 mt -123.46 135.18 64.13 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 59.4 m -109.74 131.31 55.18 Favored 'General case' 0 C--N 1.293 -1.856 0 C-N-CA 119.792 -0.763 . . . . 0.0 110.48 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.6 m . . . . . 0 C--N 1.292 -1.893 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.195 179.784 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 43.2 t80 . . . . . 0 N--CA 1.431 -1.421 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.2 m -106.81 131.32 54.05 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 120.88 0.372 . . . . 0.0 110.464 -177.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -124.27 149.11 46.86 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 80.6 m -112.6 128.48 56.38 Favored 'General case' 0 C--N 1.293 -1.888 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.968 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -125.7 146.39 49.76 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.129 -177.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 84.9 m -111.82 130.51 55.79 Favored 'General case' 0 C--N 1.285 -2.233 0 C-N-CA 119.45 -0.9 . . . . 0.0 109.358 174.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -126.82 106.48 9.37 Favored 'General case' 0 N--CA 1.416 -2.142 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.226 -175.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 57.1 42.08 26.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.841 172.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.49 -17.74 58.43 Favored Glycine 0 N--CA 1.435 -1.401 0 CA-C-N 115.79 -0.641 . . . . 0.0 113.436 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 52.1 t -103.16 124.94 57.61 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 73.5 m -95.67 131.72 41.62 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.853 -0.739 . . . . 0.0 110.541 178.005 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -135.29 130.28 34.87 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.829 -174.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 65.3 m -100.3 135.08 42.29 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.34 176.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.4 tp -116.77 137.17 51.5 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 -177.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.1 m -113.67 124.61 52.72 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.2 m . . . . . 0 C--N 1.282 -2.338 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 178.746 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.3 t80 . . . . . 0 N--CA 1.431 -1.385 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.8 m -107.89 129.62 55.07 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 121.316 0.579 . . . . 0.0 111.404 -178.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -111.9 135.26 52.75 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.521 175.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 69.4 m -102.71 128.59 49.37 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 120.09 -0.644 . . . . 0.0 112.657 -178.329 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 mp -118.21 134.56 54.9 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 78.1 m -97.37 131.85 43.65 Favored 'General case' 0 C--N 1.279 -2.481 0 C-N-CA 118.566 -1.254 . . . . 0.0 111.323 178.406 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -132.09 107.95 8.98 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.669 -174.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 54.17 45.39 27.51 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 124.242 1.017 . . . . 0.0 112.071 173.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.08 -21.55 41.43 Favored Glycine 0 N--CA 1.431 -1.643 0 CA-C-N 115.651 -0.704 . . . . 0.0 113.827 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.6 t -106.45 130.14 58.7 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.239 0 O-C-N 121.896 -0.767 . . . . 0.0 109.144 -179.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 60.8 m -95.59 128.3 42.35 Favored 'General case' 0 C--N 1.292 -1.91 0 C-N-CA 118.933 -1.107 . . . . 0.0 110.434 178.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -119.74 138.5 53.28 Favored 'General case' 0 N--CA 1.412 -2.346 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.586 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 37.5 m -113.11 135.2 54.06 Favored 'General case' 0 C--N 1.281 -2.41 0 C-N-CA 119.417 -0.913 . . . . 0.0 110.424 -177.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.4 mt -106.61 129.61 59.8 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.4 m -111.46 129.66 55.96 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 121.316 0.579 . . . . 0.0 110.409 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.4 m . . . . . 0 C--N 1.287 -2.137 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.624 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.8 t80 . . . . . 0 N--CA 1.421 -1.893 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.2 m -98.2 124.22 42.66 Favored 'General case' 0 C--N 1.29 -2.016 0 CA-C-O 121.264 0.554 . . . . 0.0 109.809 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -127.14 131.36 50.78 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.86 -174.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 93.7 m -100.34 127.24 46.69 Favored 'General case' 0 CA--C 1.479 -1.768 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.654 176.58 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.0 mt -134.83 124.7 25.5 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.891 -176.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 79.9 m -103.94 135.1 46.1 Favored 'General case' 0 C--N 1.287 -2.15 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 173.259 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -143.11 117.52 9.67 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -176.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 59.19 34.8 23.35 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.784 0.834 . . . . 0.0 112.013 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.51 -4.96 85.75 Favored Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.639 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 83.1 t -95.46 114.32 31.83 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 91.5 m -99.0 126.08 44.61 Favored 'General case' 0 CA--C 1.483 -1.611 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.21 177.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -142.07 123.18 14.62 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.174 -177.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.7 m -98.6 135.24 40.41 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.0 tt -134.54 142.67 39.96 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.4 m -111.99 125.36 53.99 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.0 m . . . . . 0 C--N 1.28 -2.413 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 179.915 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.263 -0.335 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -94.75 132.02 39.96 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 67.0 m -108.99 133.36 53.09 Favored 'General case' 0 C--N 1.287 -2.127 0 CA-C-O 121.48 0.657 . . . . 0.0 111.679 -176.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -137.0 154.24 50.46 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 65.2 m -117.47 134.0 55.34 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.332 -0.947 . . . . 0.0 112.403 -176.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.9 tp -117.66 131.72 56.6 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 61.5 m -114.82 140.26 49.08 Favored 'General case' 0 C--N 1.287 -2.148 0 C-N-CA 119.61 -0.836 . . . . 0.0 110.472 -178.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -129.33 105.42 8.11 Favored 'General case' 0 N--CA 1.426 -1.668 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 61.13 35.67 18.5 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 122.445 1.117 . . . . 0.0 110.943 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.2 -14.01 66.17 Favored Glycine 0 N--CA 1.435 -1.409 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.909 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.8 t -92.77 114.6 29.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 70.8 m -97.17 132.22 43.15 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-O 121.834 0.826 . . . . 0.0 112.713 -176.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -122.31 127.02 49.32 Favored 'General case' 0 C--N 1.287 -2.143 0 CA-C-N 114.416 -1.266 . . . . 0.0 108.094 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 81.0 m -99.35 135.3 40.96 Favored 'General case' 0 C--N 1.278 -2.533 0 C-N-CA 119.468 -0.893 . . . . 0.0 109.314 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.7 tp -126.85 126.51 68.63 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.947 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.447 -175.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 62.6 m -98.1 131.89 44.11 Favored 'General case' 0 C--N 1.281 -2.373 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.282 177.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.8 m -130.78 122.81 27.86 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.4 ptt85 . . . . . 0 N--CA 1.488 1.439 0 C-N-CA 126.076 1.75 . . . . 0.0 112.595 -178.793 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.688 0 N-CA-C 111.787 -0.525 . . . . 0.0 111.787 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -85.43 116.13 23.56 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 79.9 m -96.37 123.56 40.06 Favored 'General case' 0 N--CA 1.418 -2.055 0 CA-C-O 121.636 0.731 . . . . 0.0 111.255 178.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -112.68 116.43 30.13 Favored 'General case' 0 C--N 1.279 -2.489 0 CA-C-N 114.533 -1.212 . . . . 0.0 108.774 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 84.8 m -99.88 127.39 46.06 Favored 'General case' 0 C--N 1.285 -2.215 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 pp -134.84 145.75 48.62 Favored 'General case' 0 C--N 1.282 -2.357 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.665 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 62.7 m -105.24 129.78 53.53 Favored 'General case' 0 C--N 1.284 -2.267 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.093 178.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -129.05 110.91 12.44 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.786 -173.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 59.49 34.53 22.57 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 122.673 1.225 . . . . 0.0 111.051 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.3 -18.02 57.16 Favored Glycine 0 N--CA 1.432 -1.611 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.929 177.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.9 t -97.9 130.43 46.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 60.8 m -95.64 128.44 42.5 Favored 'General case' 0 C--N 1.295 -1.786 0 C-N-CA 118.401 -1.32 . . . . 0.0 110.762 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -124.66 121.91 36.04 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 -172.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.8 m -103.62 135.78 44.56 Favored 'General case' 0 C--N 1.288 -2.095 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 tp -127.35 121.99 58.61 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 C-N-CA 123.246 0.618 . . . . 0.0 109.468 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 57.7 m -104.94 128.77 53.33 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 121.171 0.51 . . . . 0.0 109.752 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.7 m -139.79 126.75 20.88 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 121.939 0.876 . . . . 0.0 109.656 179.156 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.559 -0.216 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -103.88 124.45 48.98 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.6 m -101.28 127.47 47.87 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.477 0.656 . . . . 0.0 111.405 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -111.16 124.36 52.04 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.251 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 86.4 m -103.71 137.72 41.35 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -133.23 138.55 46.55 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.161 176.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 63.2 m -113.34 139.33 48.95 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 119.974 -0.691 . . . . 0.0 111.469 -177.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -139.55 114.1 9.2 Favored 'General case' 0 N--CA 1.424 -1.755 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.44 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 53.58 41.59 32.06 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.93 1.292 . . . . 0.0 111.895 175.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.21 -13.78 66.65 Favored Glycine 0 N--CA 1.429 -1.772 0 CA-C-N 115.685 -0.688 . . . . 0.0 114.295 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.3 p -106.95 124.36 62.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 C-N-CA 119.4 -0.92 . . . . 0.0 109.703 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.3 m -96.16 129.97 43.32 Favored 'General case' 0 N--CA 1.418 -2.075 0 CA-C-O 121.314 0.578 . . . . 0.0 111.042 178.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -116.82 144.7 44.18 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.6 m -129.52 136.13 49.47 Favored 'General case' 0 C--N 1.288 -2.107 0 C-N-CA 119.614 -0.835 . . . . 0.0 109.329 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.2 mt -108.24 129.63 62.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.3 m -110.51 124.41 51.76 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 119.941 -0.704 . . . . 0.0 110.66 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.6 m -135.95 124.31 23.35 Favored 'General case' 0 C--N 1.285 -2.229 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 -178.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 . . . . . 0 N--CA 1.478 0.953 0 C-N-CA 124.182 0.993 . . . . 0.0 110.142 177.397 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.798 0 N-CA-C 112.934 -0.066 . . . . 0.0 112.934 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -104.23 126.42 51.33 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 55.8 m -94.51 133.44 38.12 Favored 'General case' 0 C--N 1.285 -2.207 0 C-N-CA 119.826 -0.75 . . . . 0.0 112.323 -176.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -120.69 137.33 54.53 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.76 -1.109 . . . . 0.0 108.291 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 78.8 m -103.03 134.79 45.87 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-O 121.461 0.648 . . . . 0.0 112.585 -176.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.0 tp -119.83 111.71 18.31 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 57.7 m -97.94 136.96 37.49 Favored 'General case' 0 C--N 1.283 -2.283 0 CA-C-O 121.349 0.595 . . . . 0.0 110.499 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -134.76 114.99 13.21 Favored 'General case' 0 N--CA 1.419 -1.977 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.805 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 59.23 34.77 23.25 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.181 0.993 . . . . 0.0 110.779 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.46 -13.74 65.73 Favored Glycine 0 N--CA 1.437 -1.265 0 CA-C-N 115.884 -0.598 . . . . 0.0 113.466 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.3 t -94.56 126.33 47.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 74.1 m -103.58 126.64 50.86 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 119.449 -0.901 . . . . 0.0 112.746 -178.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -117.08 125.97 52.12 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 114.623 -1.171 . . . . 0.0 107.862 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 57.4 m -106.18 135.85 46.94 Favored 'General case' 0 C--N 1.284 -2.266 0 C-N-CA 119.454 -0.898 . . . . 0.0 110.534 -178.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.9 mt -120.67 137.58 53.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -177.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 55.8 m -104.42 130.15 52.33 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.627 0.727 . . . . 0.0 111.746 -178.122 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.6 m -131.91 119.39 21.08 Favored 'General case' 0 N--CA 1.422 -1.861 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.459 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 . . . . . 0 CA--C 1.541 0.621 0 CA-C-O 122.101 0.953 . . . . 0.0 109.601 178.302 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.142 0 N-CA-C 112.291 -0.324 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -85.55 113.01 21.46 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 59.2 m -93.28 135.91 34.05 Favored 'General case' 0 C--N 1.284 -2.259 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.759 -175.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -127.03 142.87 51.44 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 95.9 m -111.81 127.62 55.87 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.876 176.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.3 mt -126.62 122.64 35.6 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-N 115.014 -0.994 . . . . 0.0 108.937 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 71.6 m -101.88 138.2 39.17 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.597 176.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -137.55 99.62 3.99 Favored 'General case' 0 N--CA 1.415 -2.192 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.582 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 53.53 48.75 21.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.923 -1.035 . . . . 0.0 112.793 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.19 -20.09 49.71 Favored Glycine 0 N--CA 1.428 -1.848 0 CA-C-N 115.415 -0.812 . . . . 0.0 113.188 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.8 t -93.04 113.99 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.109 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 94.8 m -96.71 126.04 41.59 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.707 177.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -123.73 106.41 10.49 Favored 'General case' 0 C--N 1.278 -2.541 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.677 -173.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 68.1 m -97.59 134.81 40.3 Favored 'General case' 0 C--N 1.286 -2.19 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 173.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.5 tp -138.71 144.81 29.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 48.6 m -105.59 132.07 52.19 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-O 121.535 0.683 . . . . 0.0 112.075 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 m -109.55 104.69 13.77 Favored 'General case' 0 N--CA 1.425 -1.721 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 . . . . . 0 N--CA 1.5 2.071 0 C-N-CA 125.391 1.477 . . . . 0.0 112.541 179.702 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.578 0 N-CA-C 111.911 -0.476 . . . . 0.0 111.911 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -97.84 123.54 41.85 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.1 m -103.31 131.58 50.26 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.098 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -129.53 137.54 50.84 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 85.7 m -101.61 125.59 48.29 Favored 'General case' 0 N--CA 1.418 -2.042 0 CA-C-O 121.528 0.68 . . . . 0.0 111.32 176.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.1 mt -108.26 111.84 24.01 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 114.101 -1.409 . . . . 0.0 107.56 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 42.2 m -105.71 144.17 32.84 Favored 'General case' 0 C--N 1.281 -2.382 0 CA-C-O 121.034 0.445 . . . . 0.0 110.887 -175.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -137.71 115.43 11.37 Favored 'General case' 0 N--CA 1.427 -1.605 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 55.93 37.99 29.48 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.897 0.879 . . . . 0.0 112.761 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.31 -20.08 48.48 Favored Glycine 0 N--CA 1.43 -1.711 0 CA-C-N 115.598 -0.728 . . . . 0.0 113.452 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t -89.69 121.69 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.041 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.2 m -101.21 133.84 45.15 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -177.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -118.89 114.58 22.82 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 114.437 -1.256 . . . . 0.0 107.94 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.9 m -98.8 135.98 39.48 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 120.312 -0.555 . . . . 0.0 111.013 -177.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.0 tt -129.61 144.16 38.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.536 -177.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.7 m -120.18 128.07 53.05 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.287 0.565 . . . . 0.0 110.802 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.51 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 29.2 m -140.24 135.52 32.41 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 17' ' ' THR . 16.9 ptt-85 . . . . . 0 N--CA 1.501 2.116 0 C-N-CA 126.013 1.725 . . . . 0.0 111.838 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.588 0 N-CA-C 112.186 -0.366 . . . . 0.0 112.186 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -93.23 129.19 39.36 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.0 m -104.65 123.68 48.01 Favored 'General case' 0 N--CA 1.418 -2.061 0 CA-C-O 121.808 0.813 . . . . 0.0 111.104 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -116.33 136.99 52.52 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.5 m -100.15 127.28 46.43 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.168 -1.013 . . . . 0.0 112.141 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -120.76 146.42 46.51 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 114.546 -1.207 . . . . 0.0 107.986 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 64.6 m -113.19 125.52 54.42 Favored 'General case' 0 C--N 1.287 -2.126 0 C-N-CA 118.567 -1.253 . . . . 0.0 111.085 176.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.8 ttm-85 -109.68 100.24 9.3 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-N 114.492 -1.231 . . . . 0.0 108.386 -175.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 57.47 41.67 25.7 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 123.722 0.809 . . . . 0.0 111.656 175.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.55 -24.23 28.65 Favored Glycine 0 N--CA 1.434 -1.5 0 CA-C-N 115.348 -0.842 . . . . 0.0 113.126 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.4 t -90.35 121.87 41.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 82.4 m -95.64 134.82 38.1 Favored 'General case' 0 C--N 1.285 -2.214 0 C-N-CA 119.276 -0.97 . . . . 0.0 111.909 -176.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -136.29 133.02 36.49 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.876 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.6 m -95.03 135.65 36.31 Favored 'General case' 0 C--N 1.283 -2.298 0 C-N-CA 120.239 -0.584 . . . . 0.0 109.502 175.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.6 mm -119.83 140.19 44.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.7 m -116.29 129.25 56.18 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.245 0.545 . . . . 0.0 110.671 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.8 m -138.97 128.64 24.68 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 122.913 1.34 . . . . 0.0 109.454 -176.865 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.191 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -98.61 113.45 25.5 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.9 m -92.62 124.29 36.53 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 121.734 0.778 . . . . 0.0 110.282 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -124.88 132.8 53.26 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.781 -174.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 71.2 m -106.9 132.39 52.91 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.778 0.799 . . . . 0.0 112.809 -178.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 mp -116.59 146.38 42.72 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 65.2 m -119.35 134.11 55.38 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 118.662 -1.215 . . . . 0.0 112.239 -177.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -135.23 118.08 16.2 Favored 'General case' 0 N--CA 1.427 -1.587 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.636 -175.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 58.49 34.22 23.75 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.062 0.945 . . . . 0.0 111.37 174.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.06 63.93 Favored Glycine 0 N--CA 1.436 -1.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.727 177.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.7 p -107.4 141.63 22.13 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.202 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.1 m -104.69 131.44 52.12 Favored 'General case' 0 N--CA 1.413 -2.277 0 C-N-CA 119.307 -0.957 . . . . 0.0 112.16 -177.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -105.2 117.07 33.08 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 113.696 -1.593 . . . . 0.0 107.147 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.4 m -108.23 136.01 48.61 Favored 'General case' 0 C--N 1.277 -2.558 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.954 -178.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.8 tp -126.61 138.57 54.32 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.2 m -111.78 129.78 56.02 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.9 m -139.23 122.04 16.53 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 . . . . . 0 N--CA 1.483 1.206 0 C-N-CA 123.955 0.902 . . . . 0.0 110.595 178.484 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 112.585 -0.206 . . . . 0.0 112.585 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -101.05 121.14 41.26 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 59.6 m -94.73 125.26 39.26 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-O 121.749 0.785 . . . . 0.0 110.317 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -127.67 148.26 50.39 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 114.486 -1.234 . . . . 0.0 107.793 -177.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 80.4 m -110.77 129.9 55.72 Favored 'General case' 0 C--N 1.292 -1.904 0 C-N-CA 119.305 -0.958 . . . . 0.0 112.327 -178.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -113.17 120.0 39.72 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 57.5 m -107.37 138.62 43.23 Favored 'General case' 0 C--N 1.292 -1.919 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.953 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -148.29 133.56 18.45 Favored 'General case' 0 N--CA 1.425 -1.723 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 53.94 34.35 19.37 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.79 -21.33 39.81 Favored Glycine 0 N--CA 1.433 -1.532 0 CA-C-N 116.297 -0.41 . . . . 0.0 113.836 177.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -97.91 137.84 24.36 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 117.531 0.665 . . . . 0.0 109.985 -177.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.4 m -106.68 126.8 52.75 Favored 'General case' 0 N--CA 1.412 -2.341 0 CA-C-O 121.599 0.714 . . . . 0.0 111.085 177.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -112.99 112.77 24.47 Favored 'General case' 0 C--N 1.278 -2.501 0 CA-C-N 114.575 -1.193 . . . . 0.0 107.931 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 65.7 m -91.6 134.38 34.73 Favored 'General case' 0 N--CA 1.422 -1.838 0 C-N-CA 119.149 -1.02 . . . . 0.0 109.934 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.4 mm -127.67 134.01 66.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.123 -174.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 58.4 m -102.42 128.94 48.8 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 176.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.4 m -137.91 122.38 18.4 Favored 'General case' 0 C--N 1.284 -2.281 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 . . . . . 0 CA--C 1.55 0.959 0 CA-C-O 122.209 1.004 . . . . 0.0 109.883 179.136 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.455 0 N-CA-C 111.982 -0.447 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -120.48 125.06 46.94 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 177.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.9 m -109.67 136.56 48.82 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 120.63 0.252 . . . . 0.0 110.678 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -141.05 146.81 37.67 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 52.0 m -110.55 143.27 41.17 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.175 -1.01 . . . . 0.0 112.462 -176.01 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 99.0 mt -124.33 146.23 48.94 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.566 -1.197 . . . . 0.0 108.076 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 84.0 m -120.16 133.22 55.55 Favored 'General case' 0 C--N 1.292 -1.932 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.342 177.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -118.03 93.44 4.14 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.844 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 53.85 50.52 16.72 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 114.54 -1.209 . . . . 0.0 112.152 174.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.63 -18.07 58.1 Favored Glycine 0 C--N 1.292 -1.912 0 CA-C-N 114.622 -1.172 . . . . 0.0 113.739 177.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.7 t -100.01 114.58 38.91 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 71.2 m -95.83 134.71 38.46 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.77 -0.772 . . . . 0.0 111.804 -177.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -127.0 131.93 50.89 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.748 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.1 m -102.93 135.67 44.17 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 119.147 -1.021 . . . . 0.0 109.685 176.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mp -116.12 131.24 69.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.5 m -117.0 129.07 55.78 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 177.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.7 m -140.21 129.23 23.5 Favored 'General case' 0 C--N 1.281 -2.399 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 121.971 0.891 . . . . 0.0 110.846 175.459 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.752 -0.139 . . . . 0.0 112.752 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -105.89 113.6 27.25 Favored 'General case' 0 N--CA 1.428 -1.565 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 72.5 m -88.98 123.53 33.39 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 121.841 0.829 . . . . 0.0 111.076 178.13 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -123.34 137.75 54.76 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 114.267 -1.333 . . . . 0.0 108.662 -174.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 79.2 m -107.38 132.73 52.85 Favored 'General case' 0 C--N 1.293 -1.856 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.053 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.3 tp -130.43 127.57 39.56 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 115.288 -0.869 . . . . 0.0 108.834 -177.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 76.2 m -93.88 132.0 38.74 Favored 'General case' 0 C--N 1.292 -1.912 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.594 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -119.11 97.5 5.71 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-N 114.541 -1.209 . . . . 0.0 108.806 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 58.96 39.54 23.49 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 124.12 0.968 . . . . 0.0 112.907 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.17 -17.71 58.29 Favored Glycine 0 C--N 1.3 -1.436 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.873 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.5 t -97.01 118.14 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.25 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 177.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 85.2 m -94.94 136.74 34.9 Favored 'General case' 0 C--N 1.285 -2.237 0 C-N-CA 119.196 -1.002 . . . . 0.0 111.592 -176.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -130.02 146.06 51.68 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 64.4 m -115.37 135.63 53.93 Favored 'General case' 0 C--N 1.285 -2.202 0 C-N-CA 119.343 -0.943 . . . . 0.0 108.99 175.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.8 tt -124.59 136.34 60.97 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 57.2 m -105.86 130.52 53.81 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.3 m -133.93 119.31 18.93 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -178.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 45.9 ttp180 . . . . . 0 CA--C 1.553 1.066 0 CA-C-O 122.187 0.994 . . . . 0.0 110.228 177.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.291 0 N-CA-C 111.7 -0.56 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -97.66 120.49 38.14 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 59.2 m -106.43 126.03 51.75 Favored 'General case' 0 C--N 1.292 -1.908 0 CA-C-O 121.861 0.839 . . . . 0.0 113.089 -175.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -96.78 113.87 25.46 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 78.2 m -100.64 135.01 42.75 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -174.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -144.56 146.35 32.3 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.358 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 61.5 m -111.14 134.7 52.53 Favored 'General case' 0 C--N 1.285 -2.228 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 175.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -130.89 115.26 16.32 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.396 -177.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 57.37 36.68 27.44 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 122.443 1.116 . . . . 0.0 110.238 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.19 -18.88 42.29 Favored Glycine 0 N--CA 1.427 -1.941 0 CA-C-N 114.719 -1.128 . . . . 0.0 112.937 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t -84.17 115.67 26.67 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 71.6 m -95.07 129.09 42.29 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-O 121.598 0.713 . . . . 0.0 111.082 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -142.14 143.14 32.86 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.67 -174.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.0 m -115.68 135.77 53.72 Favored 'General case' 0 N--CA 1.42 -1.94 0 C-N-CA 119.813 -0.755 . . . . 0.0 109.701 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.6 mm -94.94 108.86 21.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 85.9 m -92.16 129.39 38.12 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.367 0.603 . . . . 0.0 111.492 -179.118 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.8 m -136.93 108.61 7.01 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 114.541 -1.208 . . . . 0.0 108.929 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 . . . . . 0 N--CA 1.49 1.541 0 C-N-CA 124.441 1.096 . . . . 0.0 111.085 178.247 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.574 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -106.09 123.67 48.38 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 59.7 m -96.89 137.77 35.46 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 121.367 0.603 . . . . 0.0 111.963 -175.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -133.77 135.69 44.05 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 69.8 m -106.14 134.59 49.03 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -174.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mp -125.8 146.93 49.58 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.023 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 85.4 m -120.8 137.58 54.46 Favored 'General case' 0 C--N 1.291 -1.937 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.489 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -132.0 110.11 10.51 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.353 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 54.78 42.51 31.12 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.197 0.999 . . . . 0.0 112.383 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.63 -23.95 28.13 Favored Glycine 0 N--CA 1.432 -1.573 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.608 177.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.2 t -89.15 115.34 28.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 98.6 m -95.8 133.39 39.98 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-O 121.218 0.532 . . . . 0.0 111.118 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -130.98 141.28 50.24 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.233 -176.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 73.2 m -112.07 137.74 49.7 Favored 'General case' 0 C--N 1.288 -2.083 0 C-N-CA 119.693 -0.803 . . . . 0.0 109.644 178.248 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.0 mt -119.51 133.36 66.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 56.3 m -108.21 129.07 55.21 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.014 0.435 . . . . 0.0 110.043 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.4 m -134.94 125.45 26.7 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 122.377 1.084 . . . . 0.0 110.018 -179.828 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.761 0 N-CA-C 112.038 -0.425 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -85.12 113.24 21.36 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.1 m -109.78 132.63 53.97 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.594 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -121.86 125.68 47.0 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 106.365 -1.716 . . . . 0.0 106.365 176.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 76.6 m -100.07 136.97 39.16 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.344 0.593 . . . . 0.0 112.393 -175.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -140.46 139.48 35.19 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.737 177.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 64.8 m -108.29 144.22 36.1 Favored 'General case' 0 C--N 1.29 -1.982 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.585 -177.325 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -141.12 121.01 13.57 Favored 'General case' 0 N--CA 1.421 -1.9 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 47.31 43.1 14.75 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.161 1.384 . . . . 0.0 114.726 176.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.54 -9.45 77.55 Favored Glycine 0 C--N 1.298 -1.557 0 CA-C-N 115.072 -0.967 . . . . 0.0 113.686 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.5 t -105.71 124.13 60.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 74.4 m -101.7 128.59 47.94 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.833 179.095 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -126.79 142.3 51.58 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -176.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 51.4 m -120.16 135.26 55.03 Favored 'General case' 0 C--N 1.279 -2.48 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.085 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.1 tt -100.12 130.81 48.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.8 m -120.53 127.94 52.64 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.213 0.53 . . . . 0.0 110.751 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.5 m -128.45 116.63 20.02 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 177.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 . . . . . 0 N--CA 1.486 1.36 0 C-N-CA 125.572 1.549 . . . . 0.0 113.221 -179.559 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.899 0 N-CA-C 112.095 -0.402 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -99.28 124.31 44.26 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.9 m -102.29 126.96 49.45 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.779 0.799 . . . . 0.0 111.533 -176.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -115.26 137.55 51.91 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 -177.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 73.4 m -108.4 133.64 52.31 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 119.432 -0.907 . . . . 0.0 112.348 -178.385 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 pp -141.84 146.57 36.0 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.598 -179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 49.4 m -111.97 134.23 53.65 Favored 'General case' 0 C--N 1.285 -2.22 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.143 178.424 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.39 109.61 11.95 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 -176.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 57.72 39.13 27.54 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 121.704 0.764 . . . . 0.0 112.217 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.22 -23.71 22.89 Favored Glycine 0 N--CA 1.431 -1.687 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.746 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.3 t -81.28 117.64 27.66 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.194 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 75.3 m -95.31 123.71 38.97 Favored 'General case' 0 N--CA 1.4 -2.926 0 CA-C-O 121.905 0.859 . . . . 0.0 110.085 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -133.05 135.01 45.11 Favored 'General case' 0 C--N 1.267 -3.014 0 CA-C-N 113.925 -1.489 . . . . 0.0 109.335 -171.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 64.0 m -106.11 135.0 48.34 Favored 'General case' 0 C--N 1.274 -2.699 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.0 tt -115.35 130.9 69.15 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -177.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.6 m -104.81 126.44 51.89 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-O 121.905 0.86 . . . . 0.0 110.066 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.4 m -135.26 132.96 38.44 Favored 'General case' 0 C--N 1.283 -2.291 0 N-CA-C 106.025 -1.843 . . . . 0.0 106.025 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 . . . . . 0 N--CA 1.491 1.62 0 C-N-CA 124.957 1.303 . . . . 0.0 112.616 -179.224 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.536 0 N-CA-C 112.089 -0.404 . . . . 0.0 112.089 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -114.98 136.9 52.62 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -178.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.9 m -116.45 133.09 56.41 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 120.087 -0.645 . . . . 0.0 112.553 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.9 mmm180 -112.73 120.95 43.28 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 174.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 80.6 m -99.51 128.6 45.63 Favored 'General case' 0 C--N 1.294 -1.816 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.996 -175.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.1 tp -134.13 145.43 49.29 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.955 -176.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 62.7 m -114.43 144.35 43.45 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -143.1 112.87 6.98 Favored 'General case' 0 N--CA 1.422 -1.851 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.0 mtm-85 55.68 40.81 30.92 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 124.901 1.28 . . . . 0.0 111.895 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.42 -19.92 44.27 Favored Glycine 0 N--CA 1.426 -1.974 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.782 178.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.5 t -85.71 114.59 25.77 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.5 m -97.16 127.34 43.04 Favored 'General case' 0 C--N 1.288 -2.074 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.223 177.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -138.53 140.39 39.08 Favored 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.707 -175.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.4 m -106.12 134.96 48.43 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 118.639 -1.224 . . . . 0.0 110.258 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.0 mm -96.0 108.75 21.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.2 m -103.65 120.68 41.39 Favored 'General case' 0 C--N 1.287 -2.144 0 CA-C-O 121.826 0.822 . . . . 0.0 110.73 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.0 t -139.4 132.03 28.87 Favored 'General case' 0 N--CA 1.409 -2.5 0 CA-C-N 114.252 -1.34 . . . . 0.0 108.626 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 121.927 0.87 . . . . 0.0 110.512 177.038 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.538 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -116.96 128.85 55.61 Favored 'General case' 0 N--CA 1.432 -1.339 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 71.4 m -98.56 128.82 45.03 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-O 121.874 0.845 . . . . 0.0 111.84 -176.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -112.36 138.27 49.32 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.8 m -117.67 122.82 44.57 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-O 121.799 0.809 . . . . 0.0 111.401 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -111.52 122.89 49.02 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-N 113.937 -1.483 . . . . 0.0 107.589 -176.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 60.7 m -102.3 133.69 46.8 Favored 'General case' 0 C--N 1.284 -2.258 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.086 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -138.64 120.8 15.74 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 -175.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 59.01 33.79 23.2 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.478 1.111 . . . . 0.0 112.041 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.01 6.73 89.01 Favored Glycine 0 N--CA 1.439 -1.117 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.994 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.7 t -115.56 127.86 73.0 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 177.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 80.8 m -97.74 130.38 44.71 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 121.763 0.792 . . . . 0.0 112.255 -178.354 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -119.4 125.61 49.4 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -175.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 75.1 m -110.35 135.55 50.89 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.223 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.5 mt -123.46 135.18 64.13 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 59.4 m -109.74 131.31 55.18 Favored 'General case' 0 C--N 1.293 -1.856 0 C-N-CA 119.792 -0.763 . . . . 0.0 110.48 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.433 HG22 ' HG3' ' A' ' 18' ' ' ARG . 23.6 m -139.79 128.8 23.58 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.195 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.433 ' HG3' HG22 ' A' ' 17' ' ' THR . 12.2 mtm180 . . . . . 0 N--CA 1.495 1.796 0 C-N-CA 125.276 1.431 . . . . 0.0 110.65 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.762 0 CA-C-O 121.1 0.278 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -107.43 131.09 54.66 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -178.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.2 m -106.81 131.32 54.05 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 120.88 0.372 . . . . 0.0 110.464 -177.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -124.27 149.11 46.86 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 80.6 m -112.6 128.48 56.38 Favored 'General case' 0 C--N 1.293 -1.888 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.968 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -125.7 146.39 49.76 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.129 -177.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 84.9 m -111.82 130.51 55.79 Favored 'General case' 0 C--N 1.285 -2.233 0 C-N-CA 119.45 -0.9 . . . . 0.0 109.358 174.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -126.82 106.48 9.37 Favored 'General case' 0 N--CA 1.416 -2.142 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.226 -175.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 57.1 42.08 26.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.841 172.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.49 -17.74 58.43 Favored Glycine 0 N--CA 1.435 -1.401 0 CA-C-N 115.79 -0.641 . . . . 0.0 113.436 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 52.1 t -103.16 124.94 57.61 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 73.5 m -95.67 131.72 41.62 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.853 -0.739 . . . . 0.0 110.541 178.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -135.29 130.28 34.87 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.829 -174.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 65.3 m -100.3 135.08 42.29 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.34 176.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.4 tp -116.77 137.17 51.5 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 -177.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.1 m -113.67 124.61 52.72 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.2 m -139.85 130.03 25.15 Favored 'General case' 0 C--N 1.282 -2.338 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 178.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 . . . . . 0 CA--C 1.544 0.738 0 CA-C-O 122.065 0.936 . . . . 0.0 109.245 178.287 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.894 0 N-CA-C 112.81 -0.116 . . . . 0.0 112.81 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -94.7 126.45 40.01 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -177.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.8 m -107.89 129.62 55.07 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 121.316 0.579 . . . . 0.0 111.404 -178.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -111.9 135.26 52.75 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.521 175.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 69.4 m -102.71 128.59 49.37 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 120.09 -0.644 . . . . 0.0 112.657 -178.329 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 mp -118.21 134.56 54.9 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 78.1 m -97.37 131.85 43.65 Favored 'General case' 0 C--N 1.279 -2.481 0 C-N-CA 118.566 -1.254 . . . . 0.0 111.323 178.406 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -132.09 107.95 8.98 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.669 -174.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 54.17 45.39 27.51 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 124.242 1.017 . . . . 0.0 112.071 173.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.08 -21.55 41.43 Favored Glycine 0 N--CA 1.431 -1.643 0 CA-C-N 115.651 -0.704 . . . . 0.0 113.827 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.6 t -106.45 130.14 58.7 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.239 0 O-C-N 121.896 -0.767 . . . . 0.0 109.144 -179.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 60.8 m -95.59 128.3 42.35 Favored 'General case' 0 C--N 1.292 -1.91 0 C-N-CA 118.933 -1.107 . . . . 0.0 110.434 178.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -119.74 138.5 53.28 Favored 'General case' 0 N--CA 1.412 -2.346 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.586 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 37.5 m -113.11 135.2 54.06 Favored 'General case' 0 C--N 1.281 -2.41 0 C-N-CA 119.417 -0.913 . . . . 0.0 110.424 -177.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.4 mt -106.61 129.61 59.8 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.4 m -111.46 129.66 55.96 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 121.316 0.579 . . . . 0.0 110.409 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.4 m -139.51 123.0 17.25 Favored 'General case' 0 C--N 1.287 -2.137 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.1 ttp-105 . . . . . 0 CA--C 1.541 0.602 0 CA-C-O 122.454 1.121 . . . . 0.0 109.504 175.348 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.607 0 N-CA-C 111.444 -0.662 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -93.28 113.91 26.23 Favored 'General case' 0 N--CA 1.421 -1.893 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.2 m -98.2 124.22 42.66 Favored 'General case' 0 C--N 1.29 -2.016 0 CA-C-O 121.264 0.554 . . . . 0.0 109.809 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -127.14 131.36 50.78 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.86 -174.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 93.7 m -100.34 127.24 46.69 Favored 'General case' 0 CA--C 1.479 -1.768 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.654 176.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.0 mt -134.83 124.7 25.5 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.891 -176.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 79.9 m -103.94 135.1 46.1 Favored 'General case' 0 C--N 1.287 -2.15 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 173.259 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -143.11 117.52 9.67 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -176.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 59.19 34.8 23.35 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.784 0.834 . . . . 0.0 112.013 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.51 -4.96 85.75 Favored Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.639 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 83.1 t -95.46 114.32 31.83 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 91.5 m -99.0 126.08 44.61 Favored 'General case' 0 CA--C 1.483 -1.611 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.21 177.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -142.07 123.18 14.62 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.174 -177.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.7 m -98.6 135.24 40.41 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.0 tt -134.54 142.67 39.96 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.4 m -111.99 125.36 53.99 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.0 m -139.22 124.48 19.09 Favored 'General case' 0 C--N 1.28 -2.413 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 . . . . . 0 N--CA 1.489 1.525 0 C-N-CA 124.274 1.03 . . . . 0.0 110.585 -177.449 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.8 t80 . . . . . 0 N--CA 1.434 -1.251 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 67.0 m -108.99 133.36 53.09 Favored 'General case' 0 C--N 1.287 -2.127 0 CA-C-O 121.48 0.657 . . . . 0.0 111.679 -176.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -137.0 154.24 50.46 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 65.2 m -117.47 134.0 55.34 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.332 -0.947 . . . . 0.0 112.403 -176.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.9 tp -117.66 131.72 56.6 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 61.5 m -114.82 140.26 49.08 Favored 'General case' 0 C--N 1.287 -2.148 0 C-N-CA 119.61 -0.836 . . . . 0.0 110.472 -178.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -129.33 105.42 8.11 Favored 'General case' 0 N--CA 1.426 -1.668 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 61.13 35.67 18.5 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 122.445 1.117 . . . . 0.0 110.943 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.2 -14.01 66.17 Favored Glycine 0 N--CA 1.435 -1.409 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.909 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.8 t -92.77 114.6 29.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 70.8 m -97.17 132.22 43.15 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-O 121.834 0.826 . . . . 0.0 112.713 -176.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -122.31 127.02 49.32 Favored 'General case' 0 C--N 1.287 -2.143 0 CA-C-N 114.416 -1.266 . . . . 0.0 108.094 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 81.0 m -99.35 135.3 40.96 Favored 'General case' 0 C--N 1.278 -2.533 0 C-N-CA 119.468 -0.893 . . . . 0.0 109.314 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.7 tp -126.85 126.51 68.63 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.947 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.447 -175.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 62.6 m -98.1 131.89 44.11 Favored 'General case' 0 C--N 1.281 -2.373 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.282 177.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.8 m . . . . . 0 C--N 1.283 -2.305 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -179.811 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.2 t80 . . . . . 0 N--CA 1.43 -1.465 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 79.9 m -96.37 123.56 40.06 Favored 'General case' 0 N--CA 1.418 -2.055 0 CA-C-O 121.636 0.731 . . . . 0.0 111.255 178.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -112.68 116.43 30.13 Favored 'General case' 0 C--N 1.279 -2.489 0 CA-C-N 114.533 -1.212 . . . . 0.0 108.774 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 84.8 m -99.88 127.39 46.06 Favored 'General case' 0 C--N 1.285 -2.215 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 pp -134.84 145.75 48.62 Favored 'General case' 0 C--N 1.282 -2.357 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.665 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 62.7 m -105.24 129.78 53.53 Favored 'General case' 0 C--N 1.284 -2.267 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.093 178.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -129.05 110.91 12.44 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.786 -173.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 59.49 34.53 22.57 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 122.673 1.225 . . . . 0.0 111.051 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.3 -18.02 57.16 Favored Glycine 0 N--CA 1.432 -1.611 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.929 177.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.9 t -97.9 130.43 46.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 60.8 m -95.64 128.44 42.5 Favored 'General case' 0 C--N 1.295 -1.786 0 C-N-CA 118.401 -1.32 . . . . 0.0 110.762 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -124.66 121.91 36.04 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 -172.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.8 m -103.62 135.78 44.56 Favored 'General case' 0 C--N 1.288 -2.095 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 tp -127.35 121.99 58.61 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 C-N-CA 123.246 0.618 . . . . 0.0 109.468 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 57.7 m -104.94 128.77 53.33 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 121.171 0.51 . . . . 0.0 109.752 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.7 m . . . . . 0 C--N 1.289 -2.035 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.158 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 50.3 t80 . . . . . 0 N--CA 1.438 -1.058 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.6 m -101.28 127.47 47.87 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.477 0.656 . . . . 0.0 111.405 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -111.16 124.36 52.04 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.251 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 86.4 m -103.71 137.72 41.35 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -133.23 138.55 46.55 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.161 176.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 63.2 m -113.34 139.33 48.95 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 119.974 -0.691 . . . . 0.0 111.469 -177.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -139.55 114.1 9.2 Favored 'General case' 0 N--CA 1.424 -1.755 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.44 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 53.58 41.59 32.06 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.93 1.292 . . . . 0.0 111.895 175.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.21 -13.78 66.65 Favored Glycine 0 N--CA 1.429 -1.772 0 CA-C-N 115.685 -0.688 . . . . 0.0 114.295 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.3 p -106.95 124.36 62.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 C-N-CA 119.4 -0.92 . . . . 0.0 109.703 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.3 m -96.16 129.97 43.32 Favored 'General case' 0 N--CA 1.418 -2.075 0 CA-C-O 121.314 0.578 . . . . 0.0 111.042 178.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -116.82 144.7 44.18 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.6 m -129.52 136.13 49.47 Favored 'General case' 0 C--N 1.288 -2.107 0 C-N-CA 119.614 -0.835 . . . . 0.0 109.329 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.2 mt -108.24 129.63 62.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.3 m -110.51 124.41 51.76 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 119.941 -0.704 . . . . 0.0 110.66 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.6 m . . . . . 0 C--N 1.285 -2.229 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 -178.153 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.5 t80 . . . . . 0 N--CA 1.439 -0.977 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 55.8 m -94.51 133.44 38.12 Favored 'General case' 0 C--N 1.285 -2.207 0 C-N-CA 119.826 -0.75 . . . . 0.0 112.323 -176.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -120.69 137.33 54.53 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.76 -1.109 . . . . 0.0 108.291 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 78.8 m -103.03 134.79 45.87 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-O 121.461 0.648 . . . . 0.0 112.585 -176.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.0 tp -119.83 111.71 18.31 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 57.7 m -97.94 136.96 37.49 Favored 'General case' 0 C--N 1.283 -2.283 0 CA-C-O 121.349 0.595 . . . . 0.0 110.499 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -134.76 114.99 13.21 Favored 'General case' 0 N--CA 1.419 -1.977 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.805 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 59.23 34.77 23.25 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.181 0.993 . . . . 0.0 110.779 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.46 -13.74 65.73 Favored Glycine 0 N--CA 1.437 -1.265 0 CA-C-N 115.884 -0.598 . . . . 0.0 113.466 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.3 t -94.56 126.33 47.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 74.1 m -103.58 126.64 50.86 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 119.449 -0.901 . . . . 0.0 112.746 -178.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -117.08 125.97 52.12 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 114.623 -1.171 . . . . 0.0 107.862 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 57.4 m -106.18 135.85 46.94 Favored 'General case' 0 C--N 1.284 -2.266 0 C-N-CA 119.454 -0.898 . . . . 0.0 110.534 -178.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.9 mt -120.67 137.58 53.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -177.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 55.8 m -104.42 130.15 52.33 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.627 0.727 . . . . 0.0 111.746 -178.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.6 m . . . . . 0 N--CA 1.422 -1.861 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.459 -177.668 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.6 t80 . . . . . 0 CA--C 1.508 -0.669 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 59.2 m -93.28 135.91 34.05 Favored 'General case' 0 C--N 1.284 -2.259 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.759 -175.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -127.03 142.87 51.44 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 95.9 m -111.81 127.62 55.87 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.876 176.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.3 mt -126.62 122.64 35.6 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-N 115.014 -0.994 . . . . 0.0 108.937 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 71.6 m -101.88 138.2 39.17 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.597 176.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -137.55 99.62 3.99 Favored 'General case' 0 N--CA 1.415 -2.192 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.582 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 53.53 48.75 21.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.923 -1.035 . . . . 0.0 112.793 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.19 -20.09 49.71 Favored Glycine 0 N--CA 1.428 -1.848 0 CA-C-N 115.415 -0.812 . . . . 0.0 113.188 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.8 t -93.04 113.99 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.109 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 94.8 m -96.71 126.04 41.59 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.707 177.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -123.73 106.41 10.49 Favored 'General case' 0 C--N 1.278 -2.541 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.677 -173.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 68.1 m -97.59 134.81 40.3 Favored 'General case' 0 C--N 1.286 -2.19 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 173.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.5 tp -138.71 144.81 29.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 48.6 m -105.59 132.07 52.19 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-O 121.535 0.683 . . . . 0.0 112.075 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.425 -1.721 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.219 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.2 t80 . . . . . 0 N--CA 1.442 -0.87 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.1 m -103.31 131.58 50.26 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.098 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -129.53 137.54 50.84 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 85.7 m -101.61 125.59 48.29 Favored 'General case' 0 N--CA 1.418 -2.042 0 CA-C-O 121.528 0.68 . . . . 0.0 111.32 176.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.1 mt -108.26 111.84 24.01 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 114.101 -1.409 . . . . 0.0 107.56 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 42.2 m -105.71 144.17 32.84 Favored 'General case' 0 C--N 1.281 -2.382 0 CA-C-O 121.034 0.445 . . . . 0.0 110.887 -175.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -137.71 115.43 11.37 Favored 'General case' 0 N--CA 1.427 -1.605 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 55.93 37.99 29.48 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.897 0.879 . . . . 0.0 112.761 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.31 -20.08 48.48 Favored Glycine 0 N--CA 1.43 -1.711 0 CA-C-N 115.598 -0.728 . . . . 0.0 113.452 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t -89.69 121.69 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.041 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.2 m -101.21 133.84 45.15 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -177.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -118.89 114.58 22.82 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 114.437 -1.256 . . . . 0.0 107.94 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.9 m -98.8 135.98 39.48 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 120.312 -0.555 . . . . 0.0 111.013 -177.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.0 tt -129.61 144.16 38.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.536 -177.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.7 m -120.18 128.07 53.05 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.287 0.565 . . . . 0.0 110.802 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.2 m . . . . . 0 C--N 1.298 -1.662 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.386 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.7 t80 . . . . . 0 N--CA 1.434 -1.232 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.0 m -104.65 123.68 48.01 Favored 'General case' 0 N--CA 1.418 -2.061 0 CA-C-O 121.808 0.813 . . . . 0.0 111.104 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -116.33 136.99 52.52 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.5 m -100.15 127.28 46.43 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.168 -1.013 . . . . 0.0 112.141 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -120.76 146.42 46.51 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 114.546 -1.207 . . . . 0.0 107.986 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 64.6 m -113.19 125.52 54.42 Favored 'General case' 0 C--N 1.287 -2.126 0 C-N-CA 118.567 -1.253 . . . . 0.0 111.085 176.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.8 ttm-85 -109.68 100.24 9.3 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-N 114.492 -1.231 . . . . 0.0 108.386 -175.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 57.47 41.67 25.7 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 123.722 0.809 . . . . 0.0 111.656 175.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.55 -24.23 28.65 Favored Glycine 0 N--CA 1.434 -1.5 0 CA-C-N 115.348 -0.842 . . . . 0.0 113.126 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.4 t -90.35 121.87 41.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 82.4 m -95.64 134.82 38.1 Favored 'General case' 0 C--N 1.285 -2.214 0 C-N-CA 119.276 -0.97 . . . . 0.0 111.909 -176.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -136.29 133.02 36.49 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.876 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.6 m -95.03 135.65 36.31 Favored 'General case' 0 C--N 1.283 -2.298 0 C-N-CA 120.239 -0.584 . . . . 0.0 109.502 175.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.6 mm -119.83 140.19 44.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.7 m -116.29 129.25 56.18 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.245 0.545 . . . . 0.0 110.671 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.8 m . . . . . 0 C--N 1.294 -1.831 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.067 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 81.9 t80 . . . . . 0 N--CA 1.428 -1.532 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.9 m -92.62 124.29 36.53 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 121.734 0.778 . . . . 0.0 110.282 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -124.88 132.8 53.26 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.781 -174.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 71.2 m -106.9 132.39 52.91 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.778 0.799 . . . . 0.0 112.809 -178.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 mp -116.59 146.38 42.72 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 65.2 m -119.35 134.11 55.38 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 118.662 -1.215 . . . . 0.0 112.239 -177.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -135.23 118.08 16.2 Favored 'General case' 0 N--CA 1.427 -1.587 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.636 -175.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 58.49 34.22 23.75 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.062 0.945 . . . . 0.0 111.37 174.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.06 63.93 Favored Glycine 0 N--CA 1.436 -1.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.727 177.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.7 p -107.4 141.63 22.13 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.202 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.1 m -104.69 131.44 52.12 Favored 'General case' 0 N--CA 1.413 -2.277 0 C-N-CA 119.307 -0.957 . . . . 0.0 112.16 -177.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -105.2 117.07 33.08 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 113.696 -1.593 . . . . 0.0 107.147 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.4 m -108.23 136.01 48.61 Favored 'General case' 0 C--N 1.277 -2.558 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.954 -178.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.8 tp -126.61 138.57 54.32 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.2 m -111.78 129.78 56.02 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.9 m . . . . . 0 C--N 1.29 -1.988 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -179.481 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 83.5 t80 . . . . . 0 N--CA 1.439 -0.988 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 59.6 m -94.73 125.26 39.26 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-O 121.749 0.785 . . . . 0.0 110.317 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -127.67 148.26 50.39 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 114.486 -1.234 . . . . 0.0 107.793 -177.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 80.4 m -110.77 129.9 55.72 Favored 'General case' 0 C--N 1.292 -1.904 0 C-N-CA 119.305 -0.958 . . . . 0.0 112.327 -178.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -113.17 120.0 39.72 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 57.5 m -107.37 138.62 43.23 Favored 'General case' 0 C--N 1.292 -1.919 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.953 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -148.29 133.56 18.45 Favored 'General case' 0 N--CA 1.425 -1.723 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 53.94 34.35 19.37 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.79 -21.33 39.81 Favored Glycine 0 N--CA 1.433 -1.532 0 CA-C-N 116.297 -0.41 . . . . 0.0 113.836 177.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -97.91 137.84 24.36 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 117.531 0.665 . . . . 0.0 109.985 -177.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.4 m -106.68 126.8 52.75 Favored 'General case' 0 N--CA 1.412 -2.341 0 CA-C-O 121.599 0.714 . . . . 0.0 111.085 177.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -112.99 112.77 24.47 Favored 'General case' 0 C--N 1.278 -2.501 0 CA-C-N 114.575 -1.193 . . . . 0.0 107.931 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 65.7 m -91.6 134.38 34.73 Favored 'General case' 0 N--CA 1.422 -1.838 0 C-N-CA 119.149 -1.02 . . . . 0.0 109.934 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.4 mm -127.67 134.01 66.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.123 -174.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 58.4 m -102.42 128.94 48.8 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 176.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.4 m . . . . . 0 C--N 1.284 -2.281 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -179.001 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.6 t80 . . . . . 0 N--CA 1.434 -1.226 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.9 m -109.67 136.56 48.82 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 120.63 0.252 . . . . 0.0 110.678 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -141.05 146.81 37.67 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 52.0 m -110.55 143.27 41.17 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.175 -1.01 . . . . 0.0 112.462 -176.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 99.0 mt -124.33 146.23 48.94 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.566 -1.197 . . . . 0.0 108.076 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 84.0 m -120.16 133.22 55.55 Favored 'General case' 0 C--N 1.292 -1.932 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.342 177.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -118.03 93.44 4.14 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.844 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 53.85 50.52 16.72 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 114.54 -1.209 . . . . 0.0 112.152 174.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.63 -18.07 58.1 Favored Glycine 0 C--N 1.292 -1.912 0 CA-C-N 114.622 -1.172 . . . . 0.0 113.739 177.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.7 t -100.01 114.58 38.91 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 71.2 m -95.83 134.71 38.46 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.77 -0.772 . . . . 0.0 111.804 -177.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -127.0 131.93 50.89 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.748 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.1 m -102.93 135.67 44.17 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 119.147 -1.021 . . . . 0.0 109.685 176.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mp -116.12 131.24 69.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.5 m -117.0 129.07 55.78 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 177.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.7 m . . . . . 0 C--N 1.281 -2.399 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.659 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.0 t80 . . . . . 0 N--CA 1.428 -1.565 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 72.5 m -88.98 123.53 33.39 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 121.841 0.829 . . . . 0.0 111.076 178.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -123.34 137.75 54.76 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 114.267 -1.333 . . . . 0.0 108.662 -174.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 79.2 m -107.38 132.73 52.85 Favored 'General case' 0 C--N 1.293 -1.856 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.053 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.3 tp -130.43 127.57 39.56 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 115.288 -0.869 . . . . 0.0 108.834 -177.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 76.2 m -93.88 132.0 38.74 Favored 'General case' 0 C--N 1.292 -1.912 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.594 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -119.11 97.5 5.71 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-N 114.541 -1.209 . . . . 0.0 108.806 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 58.96 39.54 23.49 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 124.12 0.968 . . . . 0.0 112.907 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.17 -17.71 58.29 Favored Glycine 0 C--N 1.3 -1.436 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.873 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.5 t -97.01 118.14 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.25 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 177.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 85.2 m -94.94 136.74 34.9 Favored 'General case' 0 C--N 1.285 -2.237 0 C-N-CA 119.196 -1.002 . . . . 0.0 111.592 -176.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -130.02 146.06 51.68 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 64.4 m -115.37 135.63 53.93 Favored 'General case' 0 C--N 1.285 -2.202 0 C-N-CA 119.343 -0.943 . . . . 0.0 108.99 175.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.8 tt -124.59 136.34 60.97 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 57.2 m -105.86 130.52 53.81 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.3 m . . . . . 0 C--N 1.292 -1.912 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -178.274 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.0 t80 . . . . . 0 N--CA 1.442 -0.832 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 59.2 m -106.43 126.03 51.75 Favored 'General case' 0 C--N 1.292 -1.908 0 CA-C-O 121.861 0.839 . . . . 0.0 113.089 -175.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -96.78 113.87 25.46 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 78.2 m -100.64 135.01 42.75 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -174.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -144.56 146.35 32.3 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.358 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 61.5 m -111.14 134.7 52.53 Favored 'General case' 0 C--N 1.285 -2.228 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 175.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -130.89 115.26 16.32 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.396 -177.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 57.37 36.68 27.44 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 122.443 1.116 . . . . 0.0 110.238 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.19 -18.88 42.29 Favored Glycine 0 N--CA 1.427 -1.941 0 CA-C-N 114.719 -1.128 . . . . 0.0 112.937 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t -84.17 115.67 26.67 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 71.6 m -95.07 129.09 42.29 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-O 121.598 0.713 . . . . 0.0 111.082 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -142.14 143.14 32.86 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.67 -174.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.0 m -115.68 135.77 53.72 Favored 'General case' 0 N--CA 1.42 -1.94 0 C-N-CA 119.813 -0.755 . . . . 0.0 109.701 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.6 mm -94.94 108.86 21.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 85.9 m -92.16 129.39 38.12 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.367 0.603 . . . . 0.0 111.492 -179.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.8 m . . . . . 0 C--N 1.294 -1.811 0 CA-C-N 114.541 -1.208 . . . . 0.0 108.929 -177.945 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.8 t80 . . . . . 0 N--CA 1.436 -1.136 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 59.7 m -96.89 137.77 35.46 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 121.367 0.603 . . . . 0.0 111.963 -175.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -133.77 135.69 44.05 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 69.8 m -106.14 134.59 49.03 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -174.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mp -125.8 146.93 49.58 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.023 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 85.4 m -120.8 137.58 54.46 Favored 'General case' 0 C--N 1.291 -1.937 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.489 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -132.0 110.11 10.51 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.353 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 54.78 42.51 31.12 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.197 0.999 . . . . 0.0 112.383 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.63 -23.95 28.13 Favored Glycine 0 N--CA 1.432 -1.573 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.608 177.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.2 t -89.15 115.34 28.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 98.6 m -95.8 133.39 39.98 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-O 121.218 0.532 . . . . 0.0 111.118 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -130.98 141.28 50.24 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.233 -176.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 73.2 m -112.07 137.74 49.7 Favored 'General case' 0 C--N 1.288 -2.083 0 C-N-CA 119.693 -0.803 . . . . 0.0 109.644 178.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.0 mt -119.51 133.36 66.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 56.3 m -108.21 129.07 55.21 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.014 0.435 . . . . 0.0 110.043 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.4 m . . . . . 0 C--N 1.293 -1.867 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 -179.732 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.7 t80 . . . . . 0 N--CA 1.443 -0.794 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.1 m -109.78 132.63 53.97 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.594 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -121.86 125.68 47.0 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 106.365 -1.716 . . . . 0.0 106.365 176.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 76.6 m -100.07 136.97 39.16 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.344 0.593 . . . . 0.0 112.393 -175.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -140.46 139.48 35.19 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.737 177.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 64.8 m -108.29 144.22 36.1 Favored 'General case' 0 C--N 1.29 -1.982 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.585 -177.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -141.12 121.01 13.57 Favored 'General case' 0 N--CA 1.421 -1.9 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 47.31 43.1 14.75 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.161 1.384 . . . . 0.0 114.726 176.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.54 -9.45 77.55 Favored Glycine 0 C--N 1.298 -1.557 0 CA-C-N 115.072 -0.967 . . . . 0.0 113.686 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.5 t -105.71 124.13 60.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 74.4 m -101.7 128.59 47.94 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.833 179.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -126.79 142.3 51.58 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -176.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 51.4 m -120.16 135.26 55.03 Favored 'General case' 0 C--N 1.279 -2.48 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.085 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.1 tt -100.12 130.81 48.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.8 m -120.53 127.94 52.64 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.213 0.53 . . . . 0.0 110.751 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.5 m . . . . . 0 C--N 1.29 -1.988 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 177.746 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.8 t80 . . . . . 0 N--CA 1.439 -0.997 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.9 m -102.29 126.96 49.45 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.779 0.799 . . . . 0.0 111.533 -176.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -115.26 137.55 51.91 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 -177.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 73.4 m -108.4 133.64 52.31 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 119.432 -0.907 . . . . 0.0 112.348 -178.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 pp -141.84 146.57 36.0 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.598 -179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 49.4 m -111.97 134.23 53.65 Favored 'General case' 0 C--N 1.285 -2.22 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.143 178.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.39 109.61 11.95 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 -176.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 57.72 39.13 27.54 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 121.704 0.764 . . . . 0.0 112.217 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.22 -23.71 22.89 Favored Glycine 0 N--CA 1.431 -1.687 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.746 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.3 t -81.28 117.64 27.66 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.194 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 75.3 m -95.31 123.71 38.97 Favored 'General case' 0 N--CA 1.4 -2.926 0 CA-C-O 121.905 0.859 . . . . 0.0 110.085 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -133.05 135.01 45.11 Favored 'General case' 0 C--N 1.267 -3.014 0 CA-C-N 113.925 -1.489 . . . . 0.0 109.335 -171.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 64.0 m -106.11 135.0 48.34 Favored 'General case' 0 C--N 1.274 -2.699 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.0 tt -115.35 130.9 69.15 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -177.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.6 m -104.81 126.44 51.89 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-O 121.905 0.86 . . . . 0.0 110.066 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.4 m . . . . . 0 C--N 1.283 -2.291 0 N-CA-C 106.025 -1.843 . . . . 0.0 106.025 179.156 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.7 t80 . . . . . 0 N--CA 1.435 -1.18 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.9 m -116.45 133.09 56.41 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 120.087 -0.645 . . . . 0.0 112.553 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.9 mmm180 -112.73 120.95 43.28 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 174.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 80.6 m -99.51 128.6 45.63 Favored 'General case' 0 C--N 1.294 -1.816 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.996 -175.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.1 tp -134.13 145.43 49.29 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.955 -176.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 62.7 m -114.43 144.35 43.45 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -143.1 112.87 6.98 Favored 'General case' 0 N--CA 1.422 -1.851 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.0 mtm-85 55.68 40.81 30.92 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 124.901 1.28 . . . . 0.0 111.895 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.42 -19.92 44.27 Favored Glycine 0 N--CA 1.426 -1.974 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.782 178.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.5 t -85.71 114.59 25.77 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.5 m -97.16 127.34 43.04 Favored 'General case' 0 C--N 1.288 -2.074 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.223 177.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -138.53 140.39 39.08 Favored 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.707 -175.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.4 m -106.12 134.96 48.43 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 118.639 -1.224 . . . . 0.0 110.258 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.0 mm -96.0 108.75 21.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.2 m -103.65 120.68 41.39 Favored 'General case' 0 C--N 1.287 -2.144 0 CA-C-O 121.826 0.822 . . . . 0.0 110.73 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.409 -2.5 0 CA-C-N 114.252 -1.34 . . . . 0.0 108.626 -178.599 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 82.7 t80 . . . . . 0 N--CA 1.432 -1.339 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 71.4 m -98.56 128.82 45.03 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-O 121.874 0.845 . . . . 0.0 111.84 -176.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -112.36 138.27 49.32 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.8 m -117.67 122.82 44.57 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-O 121.799 0.809 . . . . 0.0 111.401 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -111.52 122.89 49.02 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-N 113.937 -1.483 . . . . 0.0 107.589 -176.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 60.7 m -102.3 133.69 46.8 Favored 'General case' 0 C--N 1.284 -2.258 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.086 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -138.64 120.8 15.74 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 -175.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 59.01 33.79 23.2 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.478 1.111 . . . . 0.0 112.041 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.01 6.73 89.01 Favored Glycine 0 N--CA 1.439 -1.117 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.994 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.7 t -115.56 127.86 73.0 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 177.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 80.8 m -97.74 130.38 44.71 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 121.763 0.792 . . . . 0.0 112.255 -178.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -119.4 125.61 49.4 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -175.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 75.1 m -110.35 135.55 50.89 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.223 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.5 mt -123.46 135.18 64.13 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 59.4 m -109.74 131.31 55.18 Favored 'General case' 0 C--N 1.293 -1.856 0 C-N-CA 119.792 -0.763 . . . . 0.0 110.48 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.6 m . . . . . 0 C--N 1.292 -1.893 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.195 179.784 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 43.2 t80 . . . . . 0 N--CA 1.431 -1.421 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.2 m -106.81 131.32 54.05 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 120.88 0.372 . . . . 0.0 110.464 -177.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -124.27 149.11 46.86 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 80.6 m -112.6 128.48 56.38 Favored 'General case' 0 C--N 1.293 -1.888 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.968 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -125.7 146.39 49.76 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.129 -177.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 84.9 m -111.82 130.51 55.79 Favored 'General case' 0 C--N 1.285 -2.233 0 C-N-CA 119.45 -0.9 . . . . 0.0 109.358 174.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -126.82 106.48 9.37 Favored 'General case' 0 N--CA 1.416 -2.142 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.226 -175.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 57.1 42.08 26.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.841 172.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.49 -17.74 58.43 Favored Glycine 0 N--CA 1.435 -1.401 0 CA-C-N 115.79 -0.641 . . . . 0.0 113.436 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 52.1 t -103.16 124.94 57.61 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 73.5 m -95.67 131.72 41.62 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.853 -0.739 . . . . 0.0 110.541 178.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -135.29 130.28 34.87 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.829 -174.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 65.3 m -100.3 135.08 42.29 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.34 176.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.4 tp -116.77 137.17 51.5 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 -177.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.1 m -113.67 124.61 52.72 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.2 m . . . . . 0 C--N 1.282 -2.338 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 178.746 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.3 t80 . . . . . 0 N--CA 1.431 -1.385 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.8 m -107.89 129.62 55.07 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 121.316 0.579 . . . . 0.0 111.404 -178.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -111.9 135.26 52.75 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.521 175.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 69.4 m -102.71 128.59 49.37 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 120.09 -0.644 . . . . 0.0 112.657 -178.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 mp -118.21 134.56 54.9 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 78.1 m -97.37 131.85 43.65 Favored 'General case' 0 C--N 1.279 -2.481 0 C-N-CA 118.566 -1.254 . . . . 0.0 111.323 178.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -132.09 107.95 8.98 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.669 -174.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 54.17 45.39 27.51 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 124.242 1.017 . . . . 0.0 112.071 173.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.08 -21.55 41.43 Favored Glycine 0 N--CA 1.431 -1.643 0 CA-C-N 115.651 -0.704 . . . . 0.0 113.827 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.6 t -106.45 130.14 58.7 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.239 0 O-C-N 121.896 -0.767 . . . . 0.0 109.144 -179.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 60.8 m -95.59 128.3 42.35 Favored 'General case' 0 C--N 1.292 -1.91 0 C-N-CA 118.933 -1.107 . . . . 0.0 110.434 178.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -119.74 138.5 53.28 Favored 'General case' 0 N--CA 1.412 -2.346 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.586 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 37.5 m -113.11 135.2 54.06 Favored 'General case' 0 C--N 1.281 -2.41 0 C-N-CA 119.417 -0.913 . . . . 0.0 110.424 -177.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.4 mt -106.61 129.61 59.8 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.4 m -111.46 129.66 55.96 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 121.316 0.579 . . . . 0.0 110.409 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.4 m . . . . . 0 C--N 1.287 -2.137 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.624 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.8 t80 . . . . . 0 N--CA 1.421 -1.893 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.2 m -98.2 124.22 42.66 Favored 'General case' 0 C--N 1.29 -2.016 0 CA-C-O 121.264 0.554 . . . . 0.0 109.809 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -127.14 131.36 50.78 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.86 -174.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 93.7 m -100.34 127.24 46.69 Favored 'General case' 0 CA--C 1.479 -1.768 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.654 176.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.0 mt -134.83 124.7 25.5 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.891 -176.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 79.9 m -103.94 135.1 46.1 Favored 'General case' 0 C--N 1.287 -2.15 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 173.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -143.11 117.52 9.67 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -176.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 59.19 34.8 23.35 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.784 0.834 . . . . 0.0 112.013 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.51 -4.96 85.75 Favored Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.639 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 83.1 t -95.46 114.32 31.83 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 91.5 m -99.0 126.08 44.61 Favored 'General case' 0 CA--C 1.483 -1.611 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.21 177.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -142.07 123.18 14.62 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.174 -177.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.7 m -98.6 135.24 40.41 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.0 tt -134.54 142.67 39.96 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.4 m -111.99 125.36 53.99 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.0 m . . . . . 0 C--N 1.28 -2.413 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 179.915 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.263 -0.335 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -94.75 132.02 39.96 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 67.0 m -108.99 133.36 53.09 Favored 'General case' 0 C--N 1.287 -2.127 0 CA-C-O 121.48 0.657 . . . . 0.0 111.679 -176.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -137.0 154.24 50.46 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 65.2 m -117.47 134.0 55.34 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.332 -0.947 . . . . 0.0 112.403 -176.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.9 tp -117.66 131.72 56.6 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 61.5 m -114.82 140.26 49.08 Favored 'General case' 0 C--N 1.287 -2.148 0 C-N-CA 119.61 -0.836 . . . . 0.0 110.472 -178.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -129.33 105.42 8.11 Favored 'General case' 0 N--CA 1.426 -1.668 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 61.13 35.67 18.5 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 122.445 1.117 . . . . 0.0 110.943 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.2 -14.01 66.17 Favored Glycine 0 N--CA 1.435 -1.409 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.909 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.8 t -92.77 114.6 29.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 70.8 m -97.17 132.22 43.15 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-O 121.834 0.826 . . . . 0.0 112.713 -176.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -122.31 127.02 49.32 Favored 'General case' 0 C--N 1.287 -2.143 0 CA-C-N 114.416 -1.266 . . . . 0.0 108.094 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 81.0 m -99.35 135.3 40.96 Favored 'General case' 0 C--N 1.278 -2.533 0 C-N-CA 119.468 -0.893 . . . . 0.0 109.314 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.7 tp -126.85 126.51 68.63 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.947 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.447 -175.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 62.6 m -98.1 131.89 44.11 Favored 'General case' 0 C--N 1.281 -2.373 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.282 177.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.8 m -130.78 122.81 27.86 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.4 ptt85 . . . . . 0 N--CA 1.488 1.439 0 C-N-CA 126.076 1.75 . . . . 0.0 112.595 -178.793 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.688 0 N-CA-C 111.787 -0.525 . . . . 0.0 111.787 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -85.43 116.13 23.56 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 79.9 m -96.37 123.56 40.06 Favored 'General case' 0 N--CA 1.418 -2.055 0 CA-C-O 121.636 0.731 . . . . 0.0 111.255 178.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -112.68 116.43 30.13 Favored 'General case' 0 C--N 1.279 -2.489 0 CA-C-N 114.533 -1.212 . . . . 0.0 108.774 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 84.8 m -99.88 127.39 46.06 Favored 'General case' 0 C--N 1.285 -2.215 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 pp -134.84 145.75 48.62 Favored 'General case' 0 C--N 1.282 -2.357 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.665 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 62.7 m -105.24 129.78 53.53 Favored 'General case' 0 C--N 1.284 -2.267 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.093 178.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -129.05 110.91 12.44 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.786 -173.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 59.49 34.53 22.57 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 122.673 1.225 . . . . 0.0 111.051 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.3 -18.02 57.16 Favored Glycine 0 N--CA 1.432 -1.611 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.929 177.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.9 t -97.9 130.43 46.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 60.8 m -95.64 128.44 42.5 Favored 'General case' 0 C--N 1.295 -1.786 0 C-N-CA 118.401 -1.32 . . . . 0.0 110.762 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -124.66 121.91 36.04 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 -172.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.8 m -103.62 135.78 44.56 Favored 'General case' 0 C--N 1.288 -2.095 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 tp -127.35 121.99 58.61 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 C-N-CA 123.246 0.618 . . . . 0.0 109.468 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 57.7 m -104.94 128.77 53.33 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 121.171 0.51 . . . . 0.0 109.752 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.7 m -139.79 126.75 20.88 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 121.939 0.876 . . . . 0.0 109.656 179.156 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.559 -0.216 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -103.88 124.45 48.98 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.6 m -101.28 127.47 47.87 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.477 0.656 . . . . 0.0 111.405 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -111.16 124.36 52.04 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.251 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 86.4 m -103.71 137.72 41.35 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -133.23 138.55 46.55 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.161 176.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 63.2 m -113.34 139.33 48.95 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 119.974 -0.691 . . . . 0.0 111.469 -177.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -139.55 114.1 9.2 Favored 'General case' 0 N--CA 1.424 -1.755 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.44 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 53.58 41.59 32.06 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.93 1.292 . . . . 0.0 111.895 175.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.21 -13.78 66.65 Favored Glycine 0 N--CA 1.429 -1.772 0 CA-C-N 115.685 -0.688 . . . . 0.0 114.295 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.3 p -106.95 124.36 62.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 C-N-CA 119.4 -0.92 . . . . 0.0 109.703 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.3 m -96.16 129.97 43.32 Favored 'General case' 0 N--CA 1.418 -2.075 0 CA-C-O 121.314 0.578 . . . . 0.0 111.042 178.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -116.82 144.7 44.18 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.6 m -129.52 136.13 49.47 Favored 'General case' 0 C--N 1.288 -2.107 0 C-N-CA 119.614 -0.835 . . . . 0.0 109.329 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.2 mt -108.24 129.63 62.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.3 m -110.51 124.41 51.76 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 119.941 -0.704 . . . . 0.0 110.66 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.6 m -135.95 124.31 23.35 Favored 'General case' 0 C--N 1.285 -2.229 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 -178.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 . . . . . 0 N--CA 1.478 0.953 0 C-N-CA 124.182 0.993 . . . . 0.0 110.142 177.397 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.798 0 N-CA-C 112.934 -0.066 . . . . 0.0 112.934 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -104.23 126.42 51.33 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 55.8 m -94.51 133.44 38.12 Favored 'General case' 0 C--N 1.285 -2.207 0 C-N-CA 119.826 -0.75 . . . . 0.0 112.323 -176.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -120.69 137.33 54.53 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.76 -1.109 . . . . 0.0 108.291 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 78.8 m -103.03 134.79 45.87 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-O 121.461 0.648 . . . . 0.0 112.585 -176.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.0 tp -119.83 111.71 18.31 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 57.7 m -97.94 136.96 37.49 Favored 'General case' 0 C--N 1.283 -2.283 0 CA-C-O 121.349 0.595 . . . . 0.0 110.499 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -134.76 114.99 13.21 Favored 'General case' 0 N--CA 1.419 -1.977 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.805 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 59.23 34.77 23.25 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.181 0.993 . . . . 0.0 110.779 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.46 -13.74 65.73 Favored Glycine 0 N--CA 1.437 -1.265 0 CA-C-N 115.884 -0.598 . . . . 0.0 113.466 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.3 t -94.56 126.33 47.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 74.1 m -103.58 126.64 50.86 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 119.449 -0.901 . . . . 0.0 112.746 -178.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -117.08 125.97 52.12 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 114.623 -1.171 . . . . 0.0 107.862 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 57.4 m -106.18 135.85 46.94 Favored 'General case' 0 C--N 1.284 -2.266 0 C-N-CA 119.454 -0.898 . . . . 0.0 110.534 -178.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.9 mt -120.67 137.58 53.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -177.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 55.8 m -104.42 130.15 52.33 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.627 0.727 . . . . 0.0 111.746 -178.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.6 m -131.91 119.39 21.08 Favored 'General case' 0 N--CA 1.422 -1.861 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.459 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 . . . . . 0 CA--C 1.541 0.621 0 CA-C-O 122.101 0.953 . . . . 0.0 109.601 178.302 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.142 0 N-CA-C 112.291 -0.324 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -85.55 113.01 21.46 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 59.2 m -93.28 135.91 34.05 Favored 'General case' 0 C--N 1.284 -2.259 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.759 -175.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -127.03 142.87 51.44 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 95.9 m -111.81 127.62 55.87 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.876 176.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.3 mt -126.62 122.64 35.6 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-N 115.014 -0.994 . . . . 0.0 108.937 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 71.6 m -101.88 138.2 39.17 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.597 176.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -137.55 99.62 3.99 Favored 'General case' 0 N--CA 1.415 -2.192 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.582 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 53.53 48.75 21.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.923 -1.035 . . . . 0.0 112.793 176.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.19 -20.09 49.71 Favored Glycine 0 N--CA 1.428 -1.848 0 CA-C-N 115.415 -0.812 . . . . 0.0 113.188 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.8 t -93.04 113.99 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.109 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 94.8 m -96.71 126.04 41.59 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.707 177.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -123.73 106.41 10.49 Favored 'General case' 0 C--N 1.278 -2.541 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.677 -173.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 68.1 m -97.59 134.81 40.3 Favored 'General case' 0 C--N 1.286 -2.19 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 173.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.5 tp -138.71 144.81 29.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 48.6 m -105.59 132.07 52.19 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-O 121.535 0.683 . . . . 0.0 112.075 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 m -109.55 104.69 13.77 Favored 'General case' 0 N--CA 1.425 -1.721 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 . . . . . 0 N--CA 1.5 2.071 0 C-N-CA 125.391 1.477 . . . . 0.0 112.541 179.702 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.578 0 N-CA-C 111.911 -0.476 . . . . 0.0 111.911 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -97.84 123.54 41.85 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.1 m -103.31 131.58 50.26 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.098 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -129.53 137.54 50.84 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 85.7 m -101.61 125.59 48.29 Favored 'General case' 0 N--CA 1.418 -2.042 0 CA-C-O 121.528 0.68 . . . . 0.0 111.32 176.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.1 mt -108.26 111.84 24.01 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 114.101 -1.409 . . . . 0.0 107.56 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 42.2 m -105.71 144.17 32.84 Favored 'General case' 0 C--N 1.281 -2.382 0 CA-C-O 121.034 0.445 . . . . 0.0 110.887 -175.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -137.71 115.43 11.37 Favored 'General case' 0 N--CA 1.427 -1.605 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 55.93 37.99 29.48 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.897 0.879 . . . . 0.0 112.761 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.31 -20.08 48.48 Favored Glycine 0 N--CA 1.43 -1.711 0 CA-C-N 115.598 -0.728 . . . . 0.0 113.452 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t -89.69 121.69 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.041 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.2 m -101.21 133.84 45.15 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -177.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -118.89 114.58 22.82 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 114.437 -1.256 . . . . 0.0 107.94 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.9 m -98.8 135.98 39.48 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 120.312 -0.555 . . . . 0.0 111.013 -177.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.0 tt -129.61 144.16 38.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.536 -177.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.7 m -120.18 128.07 53.05 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.287 0.565 . . . . 0.0 110.802 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.51 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 29.2 m -140.24 135.52 32.41 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 17' ' ' THR . 16.9 ptt-85 . . . . . 0 N--CA 1.501 2.116 0 C-N-CA 126.013 1.725 . . . . 0.0 111.838 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.588 0 N-CA-C 112.186 -0.366 . . . . 0.0 112.186 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -93.23 129.19 39.36 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.0 m -104.65 123.68 48.01 Favored 'General case' 0 N--CA 1.418 -2.061 0 CA-C-O 121.808 0.813 . . . . 0.0 111.104 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -116.33 136.99 52.52 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.5 m -100.15 127.28 46.43 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.168 -1.013 . . . . 0.0 112.141 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -120.76 146.42 46.51 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 114.546 -1.207 . . . . 0.0 107.986 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 64.6 m -113.19 125.52 54.42 Favored 'General case' 0 C--N 1.287 -2.126 0 C-N-CA 118.567 -1.253 . . . . 0.0 111.085 176.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.8 ttm-85 -109.68 100.24 9.3 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-N 114.492 -1.231 . . . . 0.0 108.386 -175.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 57.47 41.67 25.7 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 123.722 0.809 . . . . 0.0 111.656 175.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.55 -24.23 28.65 Favored Glycine 0 N--CA 1.434 -1.5 0 CA-C-N 115.348 -0.842 . . . . 0.0 113.126 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.4 t -90.35 121.87 41.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 82.4 m -95.64 134.82 38.1 Favored 'General case' 0 C--N 1.285 -2.214 0 C-N-CA 119.276 -0.97 . . . . 0.0 111.909 -176.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -136.29 133.02 36.49 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.876 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.6 m -95.03 135.65 36.31 Favored 'General case' 0 C--N 1.283 -2.298 0 C-N-CA 120.239 -0.584 . . . . 0.0 109.502 175.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.6 mm -119.83 140.19 44.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.7 m -116.29 129.25 56.18 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.245 0.545 . . . . 0.0 110.671 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.8 m -138.97 128.64 24.68 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 122.913 1.34 . . . . 0.0 109.454 -176.865 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.191 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -98.61 113.45 25.5 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.9 m -92.62 124.29 36.53 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 121.734 0.778 . . . . 0.0 110.282 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -124.88 132.8 53.26 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.781 -174.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 71.2 m -106.9 132.39 52.91 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.778 0.799 . . . . 0.0 112.809 -178.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 mp -116.59 146.38 42.72 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 65.2 m -119.35 134.11 55.38 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 118.662 -1.215 . . . . 0.0 112.239 -177.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -135.23 118.08 16.2 Favored 'General case' 0 N--CA 1.427 -1.587 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.636 -175.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 58.49 34.22 23.75 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.062 0.945 . . . . 0.0 111.37 174.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.06 63.93 Favored Glycine 0 N--CA 1.436 -1.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.727 177.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.7 p -107.4 141.63 22.13 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.202 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.1 m -104.69 131.44 52.12 Favored 'General case' 0 N--CA 1.413 -2.277 0 C-N-CA 119.307 -0.957 . . . . 0.0 112.16 -177.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -105.2 117.07 33.08 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 113.696 -1.593 . . . . 0.0 107.147 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.4 m -108.23 136.01 48.61 Favored 'General case' 0 C--N 1.277 -2.558 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.954 -178.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.8 tp -126.61 138.57 54.32 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.2 m -111.78 129.78 56.02 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.9 m -139.23 122.04 16.53 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 . . . . . 0 N--CA 1.483 1.206 0 C-N-CA 123.955 0.902 . . . . 0.0 110.595 178.484 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 112.585 -0.206 . . . . 0.0 112.585 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -101.05 121.14 41.26 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 59.6 m -94.73 125.26 39.26 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-O 121.749 0.785 . . . . 0.0 110.317 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -127.67 148.26 50.39 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 114.486 -1.234 . . . . 0.0 107.793 -177.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 80.4 m -110.77 129.9 55.72 Favored 'General case' 0 C--N 1.292 -1.904 0 C-N-CA 119.305 -0.958 . . . . 0.0 112.327 -178.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -113.17 120.0 39.72 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 57.5 m -107.37 138.62 43.23 Favored 'General case' 0 C--N 1.292 -1.919 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.953 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -148.29 133.56 18.45 Favored 'General case' 0 N--CA 1.425 -1.723 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 53.94 34.35 19.37 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.79 -21.33 39.81 Favored Glycine 0 N--CA 1.433 -1.532 0 CA-C-N 116.297 -0.41 . . . . 0.0 113.836 177.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -97.91 137.84 24.36 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 117.531 0.665 . . . . 0.0 109.985 -177.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.4 m -106.68 126.8 52.75 Favored 'General case' 0 N--CA 1.412 -2.341 0 CA-C-O 121.599 0.714 . . . . 0.0 111.085 177.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -112.99 112.77 24.47 Favored 'General case' 0 C--N 1.278 -2.501 0 CA-C-N 114.575 -1.193 . . . . 0.0 107.931 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 65.7 m -91.6 134.38 34.73 Favored 'General case' 0 N--CA 1.422 -1.838 0 C-N-CA 119.149 -1.02 . . . . 0.0 109.934 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.4 mm -127.67 134.01 66.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.123 -174.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 58.4 m -102.42 128.94 48.8 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 176.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.4 m -137.91 122.38 18.4 Favored 'General case' 0 C--N 1.284 -2.281 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 . . . . . 0 CA--C 1.55 0.959 0 CA-C-O 122.209 1.004 . . . . 0.0 109.883 179.136 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.455 0 N-CA-C 111.982 -0.447 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -120.48 125.06 46.94 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 177.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.9 m -109.67 136.56 48.82 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 120.63 0.252 . . . . 0.0 110.678 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -141.05 146.81 37.67 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 52.0 m -110.55 143.27 41.17 Favored 'General case' 0 C--N 1.296 -1.719 0 C-N-CA 119.175 -1.01 . . . . 0.0 112.462 -176.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 99.0 mt -124.33 146.23 48.94 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.566 -1.197 . . . . 0.0 108.076 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 84.0 m -120.16 133.22 55.55 Favored 'General case' 0 C--N 1.292 -1.932 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.342 177.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -118.03 93.44 4.14 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.844 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 53.85 50.52 16.72 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 114.54 -1.209 . . . . 0.0 112.152 174.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.63 -18.07 58.1 Favored Glycine 0 C--N 1.292 -1.912 0 CA-C-N 114.622 -1.172 . . . . 0.0 113.739 177.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.7 t -100.01 114.58 38.91 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 71.2 m -95.83 134.71 38.46 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.77 -0.772 . . . . 0.0 111.804 -177.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -127.0 131.93 50.89 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.748 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.1 m -102.93 135.67 44.17 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 119.147 -1.021 . . . . 0.0 109.685 176.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mp -116.12 131.24 69.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.5 m -117.0 129.07 55.78 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 177.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.7 m -140.21 129.23 23.5 Favored 'General case' 0 C--N 1.281 -2.399 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 121.971 0.891 . . . . 0.0 110.846 175.459 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.752 -0.139 . . . . 0.0 112.752 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -105.89 113.6 27.25 Favored 'General case' 0 N--CA 1.428 -1.565 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 72.5 m -88.98 123.53 33.39 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 121.841 0.829 . . . . 0.0 111.076 178.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -123.34 137.75 54.76 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 114.267 -1.333 . . . . 0.0 108.662 -174.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 79.2 m -107.38 132.73 52.85 Favored 'General case' 0 C--N 1.293 -1.856 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.053 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.3 tp -130.43 127.57 39.56 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 115.288 -0.869 . . . . 0.0 108.834 -177.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 76.2 m -93.88 132.0 38.74 Favored 'General case' 0 C--N 1.292 -1.912 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.594 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -119.11 97.5 5.71 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-N 114.541 -1.209 . . . . 0.0 108.806 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 58.96 39.54 23.49 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 124.12 0.968 . . . . 0.0 112.907 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.17 -17.71 58.29 Favored Glycine 0 C--N 1.3 -1.436 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.873 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.5 t -97.01 118.14 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.25 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 177.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 85.2 m -94.94 136.74 34.9 Favored 'General case' 0 C--N 1.285 -2.237 0 C-N-CA 119.196 -1.002 . . . . 0.0 111.592 -176.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -130.02 146.06 51.68 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 64.4 m -115.37 135.63 53.93 Favored 'General case' 0 C--N 1.285 -2.202 0 C-N-CA 119.343 -0.943 . . . . 0.0 108.99 175.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.8 tt -124.59 136.34 60.97 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 57.2 m -105.86 130.52 53.81 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.3 m -133.93 119.31 18.93 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -178.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 45.9 ttp180 . . . . . 0 CA--C 1.553 1.066 0 CA-C-O 122.187 0.994 . . . . 0.0 110.228 177.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.291 0 N-CA-C 111.7 -0.56 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -97.66 120.49 38.14 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 59.2 m -106.43 126.03 51.75 Favored 'General case' 0 C--N 1.292 -1.908 0 CA-C-O 121.861 0.839 . . . . 0.0 113.089 -175.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -96.78 113.87 25.46 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 78.2 m -100.64 135.01 42.75 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -174.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -144.56 146.35 32.3 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.358 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 61.5 m -111.14 134.7 52.53 Favored 'General case' 0 C--N 1.285 -2.228 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 175.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -130.89 115.26 16.32 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.396 -177.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 57.37 36.68 27.44 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 122.443 1.116 . . . . 0.0 110.238 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.19 -18.88 42.29 Favored Glycine 0 N--CA 1.427 -1.941 0 CA-C-N 114.719 -1.128 . . . . 0.0 112.937 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t -84.17 115.67 26.67 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 71.6 m -95.07 129.09 42.29 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-O 121.598 0.713 . . . . 0.0 111.082 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -142.14 143.14 32.86 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.67 -174.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.0 m -115.68 135.77 53.72 Favored 'General case' 0 N--CA 1.42 -1.94 0 C-N-CA 119.813 -0.755 . . . . 0.0 109.701 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.6 mm -94.94 108.86 21.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 85.9 m -92.16 129.39 38.12 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.367 0.603 . . . . 0.0 111.492 -179.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.8 m -136.93 108.61 7.01 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 114.541 -1.208 . . . . 0.0 108.929 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 . . . . . 0 N--CA 1.49 1.541 0 C-N-CA 124.441 1.096 . . . . 0.0 111.085 178.247 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.574 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -106.09 123.67 48.38 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 59.7 m -96.89 137.77 35.46 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 121.367 0.603 . . . . 0.0 111.963 -175.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -133.77 135.69 44.05 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 69.8 m -106.14 134.59 49.03 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -174.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mp -125.8 146.93 49.58 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.023 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 85.4 m -120.8 137.58 54.46 Favored 'General case' 0 C--N 1.291 -1.937 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.489 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -132.0 110.11 10.51 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.353 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 54.78 42.51 31.12 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.197 0.999 . . . . 0.0 112.383 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.63 -23.95 28.13 Favored Glycine 0 N--CA 1.432 -1.573 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.608 177.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.2 t -89.15 115.34 28.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 98.6 m -95.8 133.39 39.98 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-O 121.218 0.532 . . . . 0.0 111.118 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -130.98 141.28 50.24 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.233 -176.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 73.2 m -112.07 137.74 49.7 Favored 'General case' 0 C--N 1.288 -2.083 0 C-N-CA 119.693 -0.803 . . . . 0.0 109.644 178.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.0 mt -119.51 133.36 66.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 56.3 m -108.21 129.07 55.21 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.014 0.435 . . . . 0.0 110.043 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.4 m -134.94 125.45 26.7 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 122.377 1.084 . . . . 0.0 110.018 -179.828 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.761 0 N-CA-C 112.038 -0.425 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -85.12 113.24 21.36 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.1 m -109.78 132.63 53.97 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.594 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -121.86 125.68 47.0 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 106.365 -1.716 . . . . 0.0 106.365 176.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 76.6 m -100.07 136.97 39.16 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.344 0.593 . . . . 0.0 112.393 -175.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -140.46 139.48 35.19 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.737 177.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 64.8 m -108.29 144.22 36.1 Favored 'General case' 0 C--N 1.29 -1.982 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.585 -177.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -141.12 121.01 13.57 Favored 'General case' 0 N--CA 1.421 -1.9 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 47.31 43.1 14.75 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.161 1.384 . . . . 0.0 114.726 176.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.54 -9.45 77.55 Favored Glycine 0 C--N 1.298 -1.557 0 CA-C-N 115.072 -0.967 . . . . 0.0 113.686 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.5 t -105.71 124.13 60.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 74.4 m -101.7 128.59 47.94 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.833 179.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -126.79 142.3 51.58 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -176.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 51.4 m -120.16 135.26 55.03 Favored 'General case' 0 C--N 1.279 -2.48 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.085 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.1 tt -100.12 130.81 48.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.8 m -120.53 127.94 52.64 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.213 0.53 . . . . 0.0 110.751 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.5 m -128.45 116.63 20.02 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 177.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 . . . . . 0 N--CA 1.486 1.36 0 C-N-CA 125.572 1.549 . . . . 0.0 113.221 -179.559 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.899 0 N-CA-C 112.095 -0.402 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -99.28 124.31 44.26 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.9 m -102.29 126.96 49.45 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.779 0.799 . . . . 0.0 111.533 -176.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -115.26 137.55 51.91 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 -177.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 73.4 m -108.4 133.64 52.31 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 119.432 -0.907 . . . . 0.0 112.348 -178.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 pp -141.84 146.57 36.0 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.598 -179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 49.4 m -111.97 134.23 53.65 Favored 'General case' 0 C--N 1.285 -2.22 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.143 178.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.39 109.61 11.95 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 -176.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 57.72 39.13 27.54 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 121.704 0.764 . . . . 0.0 112.217 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.22 -23.71 22.89 Favored Glycine 0 N--CA 1.431 -1.687 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.746 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.3 t -81.28 117.64 27.66 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.194 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 75.3 m -95.31 123.71 38.97 Favored 'General case' 0 N--CA 1.4 -2.926 0 CA-C-O 121.905 0.859 . . . . 0.0 110.085 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -133.05 135.01 45.11 Favored 'General case' 0 C--N 1.267 -3.014 0 CA-C-N 113.925 -1.489 . . . . 0.0 109.335 -171.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 64.0 m -106.11 135.0 48.34 Favored 'General case' 0 C--N 1.274 -2.699 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.0 tt -115.35 130.9 69.15 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -177.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.6 m -104.81 126.44 51.89 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-O 121.905 0.86 . . . . 0.0 110.066 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.4 m -135.26 132.96 38.44 Favored 'General case' 0 C--N 1.283 -2.291 0 N-CA-C 106.025 -1.843 . . . . 0.0 106.025 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 . . . . . 0 N--CA 1.491 1.62 0 C-N-CA 124.957 1.303 . . . . 0.0 112.616 -179.224 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.536 0 N-CA-C 112.089 -0.404 . . . . 0.0 112.089 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -114.98 136.9 52.62 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -178.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.9 m -116.45 133.09 56.41 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 120.087 -0.645 . . . . 0.0 112.553 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.9 mmm180 -112.73 120.95 43.28 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 174.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 80.6 m -99.51 128.6 45.63 Favored 'General case' 0 C--N 1.294 -1.816 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.996 -175.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.1 tp -134.13 145.43 49.29 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.955 -176.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 62.7 m -114.43 144.35 43.45 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -143.1 112.87 6.98 Favored 'General case' 0 N--CA 1.422 -1.851 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.0 mtm-85 55.68 40.81 30.92 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 124.901 1.28 . . . . 0.0 111.895 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.42 -19.92 44.27 Favored Glycine 0 N--CA 1.426 -1.974 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.782 178.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.5 t -85.71 114.59 25.77 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.5 m -97.16 127.34 43.04 Favored 'General case' 0 C--N 1.288 -2.074 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.223 177.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -138.53 140.39 39.08 Favored 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.707 -175.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.4 m -106.12 134.96 48.43 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 118.639 -1.224 . . . . 0.0 110.258 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.0 mm -96.0 108.75 21.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.2 m -103.65 120.68 41.39 Favored 'General case' 0 C--N 1.287 -2.144 0 CA-C-O 121.826 0.822 . . . . 0.0 110.73 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.0 t -139.4 132.03 28.87 Favored 'General case' 0 N--CA 1.409 -2.5 0 CA-C-N 114.252 -1.34 . . . . 0.0 108.626 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 121.927 0.87 . . . . 0.0 110.512 177.038 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.538 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -116.96 128.85 55.61 Favored 'General case' 0 N--CA 1.432 -1.339 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 71.4 m -98.56 128.82 45.03 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-O 121.874 0.845 . . . . 0.0 111.84 -176.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -112.36 138.27 49.32 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.8 m -117.67 122.82 44.57 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-O 121.799 0.809 . . . . 0.0 111.401 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -111.52 122.89 49.02 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-N 113.937 -1.483 . . . . 0.0 107.589 -176.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 60.7 m -102.3 133.69 46.8 Favored 'General case' 0 C--N 1.284 -2.258 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.086 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -138.64 120.8 15.74 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 -175.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 59.01 33.79 23.2 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.478 1.111 . . . . 0.0 112.041 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.01 6.73 89.01 Favored Glycine 0 N--CA 1.439 -1.117 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.994 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.7 t -115.56 127.86 73.0 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 177.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 80.8 m -97.74 130.38 44.71 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 121.763 0.792 . . . . 0.0 112.255 -178.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -119.4 125.61 49.4 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -175.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 75.1 m -110.35 135.55 50.89 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 118.807 -1.157 . . . . 0.0 111.223 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.5 mt -123.46 135.18 64.13 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 59.4 m -109.74 131.31 55.18 Favored 'General case' 0 C--N 1.293 -1.856 0 C-N-CA 119.792 -0.763 . . . . 0.0 110.48 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.433 HG22 ' HG3' ' A' ' 18' ' ' ARG . 23.6 m -139.79 128.8 23.58 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.195 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.433 ' HG3' HG22 ' A' ' 17' ' ' THR . 12.2 mtm180 . . . . . 0 N--CA 1.495 1.796 0 C-N-CA 125.276 1.431 . . . . 0.0 110.65 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.762 0 CA-C-O 121.1 0.278 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -107.43 131.09 54.66 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -178.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.2 m -106.81 131.32 54.05 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 120.88 0.372 . . . . 0.0 110.464 -177.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -124.27 149.11 46.86 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 80.6 m -112.6 128.48 56.38 Favored 'General case' 0 C--N 1.293 -1.888 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.968 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -125.7 146.39 49.76 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.129 -177.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 84.9 m -111.82 130.51 55.79 Favored 'General case' 0 C--N 1.285 -2.233 0 C-N-CA 119.45 -0.9 . . . . 0.0 109.358 174.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -126.82 106.48 9.37 Favored 'General case' 0 N--CA 1.416 -2.142 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.226 -175.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 57.1 42.08 26.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.841 172.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.49 -17.74 58.43 Favored Glycine 0 N--CA 1.435 -1.401 0 CA-C-N 115.79 -0.641 . . . . 0.0 113.436 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 52.1 t -103.16 124.94 57.61 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 73.5 m -95.67 131.72 41.62 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.853 -0.739 . . . . 0.0 110.541 178.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -135.29 130.28 34.87 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.829 -174.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 65.3 m -100.3 135.08 42.29 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.34 176.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.4 tp -116.77 137.17 51.5 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 -177.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.1 m -113.67 124.61 52.72 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.2 m -139.85 130.03 25.15 Favored 'General case' 0 C--N 1.282 -2.338 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 178.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 . . . . . 0 CA--C 1.544 0.738 0 CA-C-O 122.065 0.936 . . . . 0.0 109.245 178.287 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.894 0 N-CA-C 112.81 -0.116 . . . . 0.0 112.81 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -94.7 126.45 40.01 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -177.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.8 m -107.89 129.62 55.07 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 121.316 0.579 . . . . 0.0 111.404 -178.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -111.9 135.26 52.75 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.521 175.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 69.4 m -102.71 128.59 49.37 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 120.09 -0.644 . . . . 0.0 112.657 -178.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 mp -118.21 134.56 54.9 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 78.1 m -97.37 131.85 43.65 Favored 'General case' 0 C--N 1.279 -2.481 0 C-N-CA 118.566 -1.254 . . . . 0.0 111.323 178.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -132.09 107.95 8.98 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.669 -174.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 54.17 45.39 27.51 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 124.242 1.017 . . . . 0.0 112.071 173.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.08 -21.55 41.43 Favored Glycine 0 N--CA 1.431 -1.643 0 CA-C-N 115.651 -0.704 . . . . 0.0 113.827 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.6 t -106.45 130.14 58.7 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.239 0 O-C-N 121.896 -0.767 . . . . 0.0 109.144 -179.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 60.8 m -95.59 128.3 42.35 Favored 'General case' 0 C--N 1.292 -1.91 0 C-N-CA 118.933 -1.107 . . . . 0.0 110.434 178.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -119.74 138.5 53.28 Favored 'General case' 0 N--CA 1.412 -2.346 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.586 -175.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 37.5 m -113.11 135.2 54.06 Favored 'General case' 0 C--N 1.281 -2.41 0 C-N-CA 119.417 -0.913 . . . . 0.0 110.424 -177.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.4 mt -106.61 129.61 59.8 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.4 m -111.46 129.66 55.96 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 121.316 0.579 . . . . 0.0 110.409 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.4 m -139.51 123.0 17.25 Favored 'General case' 0 C--N 1.287 -2.137 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.1 ttp-105 . . . . . 0 CA--C 1.541 0.602 0 CA-C-O 122.454 1.121 . . . . 0.0 109.504 175.348 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.607 0 N-CA-C 111.444 -0.662 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -93.28 113.91 26.23 Favored 'General case' 0 N--CA 1.421 -1.893 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.2 m -98.2 124.22 42.66 Favored 'General case' 0 C--N 1.29 -2.016 0 CA-C-O 121.264 0.554 . . . . 0.0 109.809 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -127.14 131.36 50.78 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.86 -174.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 93.7 m -100.34 127.24 46.69 Favored 'General case' 0 CA--C 1.479 -1.768 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.654 176.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.0 mt -134.83 124.7 25.5 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.891 -176.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 79.9 m -103.94 135.1 46.1 Favored 'General case' 0 C--N 1.287 -2.15 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 173.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -143.11 117.52 9.67 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -176.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 59.19 34.8 23.35 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.784 0.834 . . . . 0.0 112.013 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.51 -4.96 85.75 Favored Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.639 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 83.1 t -95.46 114.32 31.83 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 91.5 m -99.0 126.08 44.61 Favored 'General case' 0 CA--C 1.483 -1.611 0 C-N-CA 119.441 -0.904 . . . . 0.0 111.21 177.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -142.07 123.18 14.62 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.174 -177.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.7 m -98.6 135.24 40.41 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.0 tt -134.54 142.67 39.96 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.4 m -111.99 125.36 53.99 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.0 m -139.22 124.48 19.09 Favored 'General case' 0 C--N 1.28 -2.413 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 . . . . . 0 N--CA 1.489 1.525 0 C-N-CA 124.274 1.03 . . . . 0.0 110.585 -177.449 . . . . . . . . 0 0 . 1 stop_ save_