data_6qkf_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6qkf _Structure_validation_residue.Date_analyzed 2019-03-15 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 ' 4' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.5 mt -117.24 120.19 37.49 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.196 -177.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 17.5 m -112.37 119.79 39.46 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -178.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -114.34 120.02 38.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.607 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 35.1 m -107.48 123.13 47.96 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -125.59 86.43 2.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.927 0.394 . . . . 0.0 110.484 -176.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.81 -110.77 3.35 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.128 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -109.84 19.69 18.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.021 0.438 . . . . 0.0 110.819 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.9 tt -138.59 128.78 33.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.92 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 46.6 t -134.63 126.77 29.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.105 0.479 . . . . 0.0 110.729 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -123.1 151.95 41.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.601 -178.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 31.1 t -138.74 133.26 31.97 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.349 -178.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.8 m -120.23 138.36 51.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.067 0.46 . . . . 0.0 111.396 -176.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.666 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.752 178.654 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 71.4 mt -112.58 136.35 52.23 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.8 m -112.89 136.11 52.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.934 0.397 . . . . 0.0 111.053 -174.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -129.75 129.49 44.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.639 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 62.0 m -107.3 118.44 36.73 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -123.16 90.6 3.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.732 -173.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.38 -103.3 1.39 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.485 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 46.7 p90 -101.71 -8.04 22.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.755 0.312 . . . . 0.0 111.406 -176.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 tp -127.72 127.18 68.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.2 0.524 . . . . 0.0 111.129 -177.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 49.3 t -120.78 123.87 43.69 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.47 176.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -131.94 153.02 50.72 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.514 -172.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.8 m -118.91 136.72 53.91 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.92 0.391 . . . . 0.0 110.819 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.6 m -116.29 150.34 18.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.263 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 C-N-CA 120.896 -0.668 . . . . 0.0 111.876 178.541 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 121.155 0.502 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.2 mt -117.28 119.49 35.33 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.5 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 33.8 m -112.14 121.53 45.21 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.921 0.391 . . . . 0.0 110.129 -176.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.413 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 80.8 m-85 -113.01 118.85 35.97 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.9 t -129.52 119.23 23.35 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -149.06 109.87 4.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.515 -175.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.75 -110.32 3.22 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.24 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -112.46 6.95 18.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.845 0.355 . . . . 0.0 111.089 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.2 tt -120.24 119.19 59.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.307 0.575 . . . . 0.0 110.266 175.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 7' ' ' TYR . 59.0 m -143.83 120.78 11.34 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.076 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -145.69 151.32 37.82 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.527 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 48.4 t -133.72 134.16 42.69 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.411 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.2 m -112.75 134.55 54.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.872 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.905 0 C-N-CA 120.395 -0.907 . . . . 0.0 112.787 -175.021 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.7 mt -127.8 125.45 39.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.665 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 10.9 t -113.74 133.71 55.19 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.639 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -123.03 127.94 49.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.799 -175.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 57.4 m -109.57 119.57 39.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.629 177.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -113.95 88.47 2.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.964 0.411 . . . . 0.0 110.623 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.99 -86.29 0.38 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.899 177.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.7 p-90 -114.11 -17.1 12.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.647 0.26 . . . . 0.0 111.207 -177.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 tt -113.72 119.58 61.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.028 0.442 . . . . 0.0 110.757 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 42.4 t -125.71 128.76 48.28 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.0 0.428 . . . . 0.0 110.443 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -137.23 150.56 47.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.94 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 7.0 m -114.99 134.9 54.79 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.565 -177.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.8 m -113.61 135.99 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.109 0.48 . . . . 0.0 111.104 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.521 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.435 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.98 0.419 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.5 mt -121.22 125.26 46.68 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 8.2 m -112.02 122.75 48.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.912 0.387 . . . . 0.0 110.507 -174.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -113.5 124.82 53.3 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.498 -175.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 64.0 m -107.27 119.69 40.08 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -131.76 113.85 14.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.727 -173.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 66.51 -112.64 5.05 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.547 177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.41 ' CD1' HG23 ' A' ' 12' ' ' ILE . 20.2 p90 -103.85 0.05 29.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.712 0.292 . . . . 0.0 111.142 -175.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.41 HG23 ' CD1' ' A' ' 11' ' ' TRP . 39.0 pt -128.04 152.22 35.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.033 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.7 t -139.27 128.3 23.71 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.846 0.355 . . . . 0.0 110.122 174.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -128.98 151.35 49.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.86 -175.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 34.1 t -130.1 131.42 45.72 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.321 -178.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.1 t -113.5 119.14 60.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.072 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.785 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 -178.795 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.679 0.276 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.6 mt -128.72 126.36 39.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.204 177.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.7 m -137.23 124.14 21.37 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.008 0.432 . . . . 0.0 110.543 -175.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -136.19 150.21 48.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.612 -175.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 56.3 m -108.06 123.15 48.24 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -127.15 115.17 18.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.902 0.382 . . . . 0.0 111.006 -173.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.14 -108.35 2.68 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.757 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -122.72 3.01 9.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.08 0.467 . . . . 0.0 110.6 176.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.5 pt -117.4 150.39 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.868 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 25.1 t -130.93 139.79 50.1 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -128.47 152.3 48.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.188 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.7 t -142.28 116.94 9.77 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.97 119.69 58.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.739 0.304 . . . . 0.0 110.775 -174.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.82 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.226 179.615 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 72.8 mtm180 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.4 mt -127.39 131.17 50.36 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.49 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.2 m -114.46 135.18 54.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.099 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -120.7 119.58 33.21 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.1 m -108.33 125.03 51.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.638 -175.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.4 mtm105 -125.51 83.32 2.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.079 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 69.97 -100.69 0.79 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.957 177.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -100.4 7.51 44.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.741 0.305 . . . . 0.0 111.6 -174.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.2 tp -137.31 119.78 19.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.233 0.54 . . . . 0.0 110.778 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.6 t -134.72 119.37 18.16 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -113.79 151.6 31.8 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.23 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.8 m -120.73 133.69 55.33 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.73 -177.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 49.6 t -112.54 120.85 63.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.717 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.742 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.802 -179.382 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.7 ptp180 . . . . . 0 N--CA 1.45 -0.444 0 CA-C-O 120.861 0.362 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.0 mt -117.4 120.89 39.54 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.654 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 57.3 m -111.8 121.87 46.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.979 0.419 . . . . 0.0 110.083 -175.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -114.67 119.51 36.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.706 -175.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 60.2 m -107.85 133.83 51.66 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 175.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -144.1 108.76 4.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.075 0.464 . . . . 0.0 110.73 -174.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.26 -112.31 3.84 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.149 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 7.2 m-90 -104.78 -8.43 18.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.893 0.377 . . . . 0.0 110.88 -178.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.4 pt -117.01 150.53 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.868 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.8 t -142.8 140.48 31.36 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -139.9 152.1 46.15 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 36.4 t -134.83 134.88 41.27 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.778 -177.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.3 m -114.49 123.9 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.362 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.571 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.508 -177.408 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 . . . . . 0 N--CA 1.451 -0.399 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.55 ' O ' ' HA ' ' A' ' 15' ' ' CYS . 76.5 mt -114.46 119.7 37.75 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.109 177.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.2 m -119.89 119.31 33.15 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.909 0.385 . . . . 0.0 110.008 176.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.463 ' CE1' ' HB3' ' A' ' 5' ' ' LEU . 77.6 m-85 -131.34 121.02 23.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.424 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.2 m -107.71 118.56 37.06 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 176.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -136.38 114.25 11.26 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.052 -176.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.32 -112.76 4.0 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.214 -177.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -119.89 15.28 12.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.936 0.398 . . . . 0.0 110.609 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.2 tt -126.46 119.17 53.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.674 0.75 . . . . 0.0 110.78 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.2 t -126.69 137.64 53.29 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.447 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -138.04 152.04 48.45 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.88 -176.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 87.5 m -128.34 132.02 48.6 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.552 176.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.83 129.46 33.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.971 0.415 . . . . 0.0 110.537 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.646 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.617 179.018 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 . . . . . 0 N--CA 1.451 -0.397 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.1 mt -117.41 119.6 35.58 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 34.6 t -121.02 132.27 54.8 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.445 -178.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -121.2 121.38 37.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.091 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.1 m -138.1 126.33 23.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.433 -177.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -151.28 106.03 3.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.372 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.32 -109.23 3.37 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.333 177.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -109.06 -1.9 18.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.846 0.355 . . . . 0.0 111.074 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.3 tp -112.95 123.19 68.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.29 0.567 . . . . 0.0 110.215 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.5 t -145.45 117.97 8.55 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.735 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -143.21 146.21 33.46 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -178.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 19.7 m -121.64 136.03 54.96 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.425 -176.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -118.09 119.78 62.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.21 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.603 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.182 -179.906 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.428 0.156 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.37 -63.44 4.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.605 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 154.13 -59.18 0.39 Allowed Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -127.84 131.99 49.45 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.5 mt -117.24 120.19 37.49 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.196 -177.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 17.5 m -112.37 119.79 39.46 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -178.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -114.34 120.02 38.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.607 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 35.1 m -107.48 123.13 47.96 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -125.59 86.43 2.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.927 0.394 . . . . 0.0 110.484 -176.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.81 -110.77 3.35 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.128 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -109.84 19.69 18.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.021 0.438 . . . . 0.0 110.819 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.9 tt -138.59 128.78 33.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.92 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 46.6 t -134.63 126.77 29.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.105 0.479 . . . . 0.0 110.729 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -123.1 151.95 41.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.601 -178.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 31.1 t -138.74 133.26 31.97 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.349 -178.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.8 m -120.23 138.36 51.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.067 0.46 . . . . 0.0 111.396 -176.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.93 149.75 18.68 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.752 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 . . . . . 0 C--O 1.244 0.798 0 CA-C-O 118.448 -0.787 . . . . 0.0 110.667 -177.208 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.0 mtp-105 . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -148.91 139.33 7.45 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.855 178.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.55 -32.84 14.72 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.74 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -120.88 150.71 40.64 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 71.4 mt -112.58 136.35 52.23 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.8 m -112.89 136.11 52.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.934 0.397 . . . . 0.0 111.053 -174.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -129.75 129.49 44.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.639 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 62.0 m -107.3 118.44 36.73 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -123.16 90.6 3.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.732 -173.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.38 -103.3 1.39 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.485 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 46.7 p90 -101.71 -8.04 22.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.755 0.312 . . . . 0.0 111.406 -176.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 tp -127.72 127.18 68.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.2 0.524 . . . . 0.0 111.129 -177.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 49.3 t -120.78 123.87 43.69 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.47 176.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -131.94 153.02 50.72 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.514 -172.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.8 m -118.91 136.72 53.91 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.92 0.391 . . . . 0.0 110.819 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.6 m -116.29 150.34 18.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.263 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.31 131.14 2.5 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.896 -0.668 . . . . 0.0 111.876 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 . . . . . 0 C--O 1.245 0.825 0 CA-C-O 118.683 -0.675 . . . . 0.0 109.702 179.686 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 24.1 tpp180 . . . . . 0 N--CA 1.482 1.127 0 CA-C-O 120.794 0.33 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.24 -85.62 0.13 Allowed Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.921 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.11 -152.65 19.78 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.734 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -162.68 133.08 4.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.155 0.502 . . . . 0.0 110.988 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.2 mt -117.28 119.49 35.33 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.5 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 33.8 m -112.14 121.53 45.21 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.921 0.391 . . . . 0.0 110.129 -176.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.413 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 80.8 m-85 -113.01 118.85 35.97 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.9 t -129.52 119.23 23.35 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -149.06 109.87 4.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.515 -175.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.75 -110.32 3.22 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.24 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -112.46 6.95 18.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.845 0.355 . . . . 0.0 111.089 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.2 tt -120.24 119.19 59.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.307 0.575 . . . . 0.0 110.266 175.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 7' ' ' TYR . 59.0 m -143.83 120.78 11.34 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.076 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -145.69 151.32 37.82 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.527 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 48.4 t -133.72 134.16 42.69 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.411 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.2 m -112.75 134.55 54.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.872 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -127.41 149.58 17.9 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.395 -0.907 . . . . 0.0 112.787 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.678 -0.677 . . . . 0.0 109.607 177.391 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.33 -139.86 5.96 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.192 -1.004 . . . . 0.0 112.586 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.3 44.69 3.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.737 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -119.68 125.02 47.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.7 mt -127.8 125.45 39.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.665 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 10.9 t -113.74 133.71 55.19 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.639 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -123.03 127.94 49.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.799 -175.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 57.4 m -109.57 119.57 39.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.629 177.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -113.95 88.47 2.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.964 0.411 . . . . 0.0 110.623 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.99 -86.29 0.38 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.899 177.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.7 p-90 -114.11 -17.1 12.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.647 0.26 . . . . 0.0 111.207 -177.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 tt -113.72 119.58 61.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.028 0.442 . . . . 0.0 110.757 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 42.4 t -125.71 128.76 48.28 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.0 0.428 . . . . 0.0 110.443 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -137.23 150.56 47.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.94 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 7.0 m -114.99 134.9 54.79 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.565 -177.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.8 m -113.61 135.99 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.109 0.48 . . . . 0.0 111.104 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -162.01 146.54 12.18 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 119.345 -0.359 . . . . 0.0 110.844 -177.935 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 52.9 mtm180 . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 120.738 0.304 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.03 -78.96 0.41 Allowed Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.835 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 66.76 48.08 63.64 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.698 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -132.66 128.64 37.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.98 0.419 . . . . 0.0 110.53 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.5 mt -121.22 125.26 46.68 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 8.2 m -112.02 122.75 48.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.912 0.387 . . . . 0.0 110.507 -174.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -113.5 124.82 53.3 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.498 -175.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 64.0 m -107.27 119.69 40.08 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -131.76 113.85 14.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.727 -173.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 66.51 -112.64 5.05 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.547 177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.41 ' CD1' HG23 ' A' ' 12' ' ' ILE . 20.2 p90 -103.85 0.05 29.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.712 0.292 . . . . 0.0 111.142 -175.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.41 HG23 ' CD1' ' A' ' 11' ' ' TRP . 39.0 pt -128.04 152.22 35.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.033 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.7 t -139.27 128.3 23.71 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.846 0.355 . . . . 0.0 110.122 174.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -128.98 151.35 49.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.86 -175.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 34.1 t -130.1 131.42 45.72 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.321 -178.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.1 t -113.5 119.14 60.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.072 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.86 136.89 4.59 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.642 -0.694 . . . . 0.0 109.799 -179.229 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.41 -76.88 1.08 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.548 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.06 -30.31 65.61 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.893 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -113.91 120.98 42.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.679 0.276 . . . . 0.0 110.48 176.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.6 mt -128.72 126.36 39.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.204 177.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.7 m -137.23 124.14 21.37 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.008 0.432 . . . . 0.0 110.543 -175.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -136.19 150.21 48.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.612 -175.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 56.3 m -108.06 123.15 48.24 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -127.15 115.17 18.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.902 0.382 . . . . 0.0 111.006 -173.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.14 -108.35 2.68 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.757 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -122.72 3.01 9.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.08 0.467 . . . . 0.0 110.6 176.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.5 pt -117.4 150.39 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.868 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 25.1 t -130.93 139.79 50.1 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -128.47 152.3 48.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.188 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.7 t -142.28 116.94 9.77 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.97 119.69 58.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.739 0.304 . . . . 0.0 110.775 -174.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.31 160.27 29.39 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.226 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.706 -0.664 . . . . 0.0 109.626 177.858 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 120.821 0.344 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 108.42 127.48 5.6 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.563 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.53 64.48 3.81 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.401 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 72.8 mtm180 -115.96 119.58 36.37 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 177.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.4 mt -127.39 131.17 50.36 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.49 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.2 m -114.46 135.18 54.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.099 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -120.7 119.58 33.21 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.1 m -108.33 125.03 51.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.638 -175.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.4 mtm105 -125.51 83.32 2.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.079 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 69.97 -100.69 0.79 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.957 177.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -100.4 7.51 44.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.741 0.305 . . . . 0.0 111.6 -174.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.2 tp -137.31 119.78 19.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.233 0.54 . . . . 0.0 110.778 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.6 t -134.72 119.37 18.16 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -113.79 151.6 31.8 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.23 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.8 m -120.73 133.69 55.33 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.73 -177.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 49.6 t -112.54 120.85 63.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.717 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -113.59 126.54 7.44 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.802 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.77 -0.633 . . . . 0.0 109.933 -179.17 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 121.107 0.48 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.68 47.27 0.58 Allowed Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.89 -24.86 73.12 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.227 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.7 ptp180 -126.91 146.78 50.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.861 0.362 . . . . 0.0 110.408 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.0 mt -117.4 120.89 39.54 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.654 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 57.3 m -111.8 121.87 46.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.979 0.419 . . . . 0.0 110.083 -175.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -114.67 119.51 36.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.706 -175.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 60.2 m -107.85 133.83 51.66 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 175.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -144.1 108.76 4.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.075 0.464 . . . . 0.0 110.73 -174.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.26 -112.31 3.84 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.149 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 7.2 m-90 -104.78 -8.43 18.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.893 0.377 . . . . 0.0 110.88 -178.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.4 pt -117.01 150.53 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.868 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.8 t -142.8 140.48 31.36 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -139.9 152.1 46.15 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 36.4 t -134.83 134.88 41.27 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.778 -177.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.3 m -114.49 123.9 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.362 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -113.19 119.25 4.79 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.508 -177.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.45 -0.786 . . . . 0.0 109.566 176.754 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.93 -89.65 0.57 Allowed Glycine 0 C--N 1.331 0.264 0 C-N-CA 121.189 -0.529 . . . . 0.0 113.485 175.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.18 -41.41 99.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.341 -176.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -152.21 150.59 29.99 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.55 ' O ' ' HA ' ' A' ' 15' ' ' CYS . 76.5 mt -114.46 119.7 37.75 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.109 177.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.2 m -119.89 119.31 33.15 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.909 0.385 . . . . 0.0 110.008 176.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.463 ' CE1' ' HB3' ' A' ' 5' ' ' LEU . 77.6 m-85 -131.34 121.02 23.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.424 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.2 m -107.71 118.56 37.06 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 176.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -136.38 114.25 11.26 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.052 -176.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.32 -112.76 4.0 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.214 -177.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -119.89 15.28 12.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.936 0.398 . . . . 0.0 110.609 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.2 tt -126.46 119.17 53.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.674 0.75 . . . . 0.0 110.78 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.2 t -126.69 137.64 53.29 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.447 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -138.04 152.04 48.45 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.88 -176.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 87.5 m -128.34 132.02 48.6 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.552 176.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.83 129.46 33.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.971 0.415 . . . . 0.0 110.537 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -115.18 109.58 2.12 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.617 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.528 -0.748 . . . . 0.0 109.949 -178.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.841 0.353 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.08 -142.25 7.24 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.525 -0.63 . . . . 0.0 111.525 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.1 148.76 4.92 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.338 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -122.26 118.85 29.52 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 176.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.1 mt -117.41 119.6 35.58 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 34.6 t -121.02 132.27 54.8 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.445 -178.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -121.2 121.38 37.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.091 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.1 m -138.1 126.33 23.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.433 -177.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -151.28 106.03 3.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.372 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.32 -109.23 3.37 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.333 177.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -109.06 -1.9 18.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.846 0.355 . . . . 0.0 111.074 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.3 tp -112.95 123.19 68.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.29 0.567 . . . . 0.0 110.215 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.5 t -145.45 117.97 8.55 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.735 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -143.21 146.21 33.46 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -178.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 19.7 m -121.64 136.03 54.96 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.425 -176.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -118.09 119.78 62.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.21 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -135.17 152.14 20.72 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.182 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.355 -179.139 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.5 mt -117.24 120.19 37.49 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.196 -177.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 17.5 m -112.37 119.79 39.46 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -178.088 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -114.34 120.02 38.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.607 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 35.1 m -107.48 123.13 47.96 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -125.59 86.43 2.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.927 0.394 . . . . 0.0 110.484 -176.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.81 -110.77 3.35 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.128 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -109.84 19.69 18.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.021 0.438 . . . . 0.0 110.819 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.9 tt -138.59 128.78 33.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.92 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 46.6 t -134.63 126.77 29.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.105 0.479 . . . . 0.0 110.729 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -123.1 151.95 41.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.601 -178.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 31.1 t -138.74 133.26 31.97 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.349 -178.115 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.8 m -120.23 138.36 51.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.067 0.46 . . . . 0.0 111.396 -176.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.666 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.752 178.654 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 71.4 mt -112.58 136.35 52.23 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 73.8 m -112.89 136.11 52.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.934 0.397 . . . . 0.0 111.053 -174.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -129.75 129.49 44.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.639 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 62.0 m -107.3 118.44 36.73 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -123.16 90.6 3.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.732 -173.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.38 -103.3 1.39 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.485 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 46.7 p90 -101.71 -8.04 22.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.755 0.312 . . . . 0.0 111.406 -176.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 tp -127.72 127.18 68.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.2 0.524 . . . . 0.0 111.129 -177.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 49.3 t -120.78 123.87 43.69 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.47 176.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -131.94 153.02 50.72 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.514 -172.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 35.8 m -118.91 136.72 53.91 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.92 0.391 . . . . 0.0 110.819 -179.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.6 m -116.29 150.34 18.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.263 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 C-N-CA 120.896 -0.668 . . . . 0.0 111.876 178.541 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 121.155 0.502 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.2 mt -117.28 119.49 35.33 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.5 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 33.8 m -112.14 121.53 45.21 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.921 0.391 . . . . 0.0 110.129 -176.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 80.8 m-85 -113.01 118.85 35.97 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.9 t -129.52 119.23 23.35 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -149.06 109.87 4.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.515 -175.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.75 -110.32 3.22 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.24 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -112.46 6.95 18.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.845 0.355 . . . . 0.0 111.089 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.2 tt -120.24 119.19 59.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.307 0.575 . . . . 0.0 110.266 175.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 7' ' ' TYR . 59.0 m -143.83 120.78 11.34 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.076 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -145.69 151.32 37.82 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.527 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 48.4 t -133.72 134.16 42.69 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.411 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.2 m -112.75 134.55 54.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.872 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.905 0 C-N-CA 120.395 -0.907 . . . . 0.0 112.787 -175.021 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.7 mt -127.8 125.45 39.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.665 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 10.9 t -113.74 133.71 55.19 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.639 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -123.03 127.94 49.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.799 -175.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 57.4 m -109.57 119.57 39.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.629 177.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -113.95 88.47 2.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.964 0.411 . . . . 0.0 110.623 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.99 -86.29 0.38 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.899 177.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.7 p-90 -114.11 -17.1 12.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.647 0.26 . . . . 0.0 111.207 -177.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 tt -113.72 119.58 61.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.028 0.442 . . . . 0.0 110.757 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 42.4 t -125.71 128.76 48.28 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.0 0.428 . . . . 0.0 110.443 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -137.23 150.56 47.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.94 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 7.0 m -114.99 134.9 54.79 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.565 -177.072 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.8 m -113.61 135.99 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.109 0.48 . . . . 0.0 111.104 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.521 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.435 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.98 0.419 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.5 mt -121.22 125.26 46.68 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 8.2 m -112.02 122.75 48.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.912 0.387 . . . . 0.0 110.507 -174.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -113.5 124.82 53.3 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.498 -175.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 64.0 m -107.27 119.69 40.08 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -131.76 113.85 14.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.727 -173.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 66.51 -112.64 5.05 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.547 177.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.421 ' CD1' HG23 ' A' ' 12' ' ' ILE . 20.2 p90 -103.85 0.05 29.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.712 0.292 . . . . 0.0 111.142 -175.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.421 HG23 ' CD1' ' A' ' 11' ' ' TRP . 39.0 pt -128.04 152.22 35.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.033 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 44.7 t -139.27 128.3 23.71 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.846 0.355 . . . . 0.0 110.122 174.237 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -128.98 151.35 49.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.86 -175.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 34.1 t -130.1 131.42 45.72 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.321 -178.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.1 t -113.5 119.14 60.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.072 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.785 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 -178.795 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.679 0.276 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.6 mt -128.72 126.36 39.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.204 177.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.7 m -137.23 124.14 21.37 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.008 0.432 . . . . 0.0 110.543 -175.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -136.19 150.21 48.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.612 -175.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 56.3 m -108.06 123.15 48.24 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.291 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -127.15 115.17 18.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.902 0.382 . . . . 0.0 111.006 -173.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.14 -108.35 2.68 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.757 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -122.72 3.01 9.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.08 0.467 . . . . 0.0 110.6 176.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.5 pt -117.4 150.39 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.868 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 25.1 t -130.93 139.79 50.1 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -128.47 152.3 48.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.188 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.7 t -142.28 116.94 9.77 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.97 119.69 58.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.739 0.304 . . . . 0.0 110.775 -174.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.82 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.226 179.615 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 72.8 mtm180 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.4 mt -127.39 131.17 50.36 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.49 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.2 m -114.46 135.18 54.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.099 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -120.7 119.58 33.21 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.1 m -108.33 125.03 51.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.638 -175.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.4 mtm105 -125.51 83.32 2.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.079 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 69.97 -100.69 0.79 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.957 177.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -100.4 7.51 44.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.741 0.305 . . . . 0.0 111.6 -174.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.2 tp -137.31 119.78 19.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.233 0.54 . . . . 0.0 110.778 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.6 t -134.72 119.37 18.16 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -113.79 151.6 31.8 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.23 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.8 m -120.73 133.69 55.33 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.73 -177.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 49.6 t -112.54 120.85 63.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.717 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.742 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.802 -179.382 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.409 ' HA ' ' HA2' ' A' ' 17' ' ' GLY . 19.7 ptp180 . . . . . 0 N--CA 1.45 -0.444 0 CA-C-O 120.861 0.362 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.0 mt -117.4 120.89 39.54 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.654 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 57.3 m -111.8 121.87 46.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.979 0.419 . . . . 0.0 110.083 -175.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -114.67 119.51 36.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.706 -175.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 60.2 m -107.85 133.83 51.66 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 175.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -144.1 108.76 4.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.075 0.464 . . . . 0.0 110.73 -174.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.26 -112.31 3.84 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.149 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 7.2 m-90 -104.78 -8.43 18.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.893 0.377 . . . . 0.0 110.88 -178.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.4 pt -117.01 150.53 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.868 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 42.8 t -142.8 140.48 31.36 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -139.9 152.1 46.15 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 36.4 t -134.83 134.88 41.27 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.778 -177.209 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.3 m -114.49 123.9 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.362 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 4' ' ' ARG . . . . . . . . 0 N--CA 1.447 -0.571 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.508 -177.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 . . . . . 0 N--CA 1.451 -0.399 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.555 ' O ' ' HA ' ' A' ' 15' ' ' CYS . 76.5 mt -114.46 119.7 37.75 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.109 177.25 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.2 m -119.89 119.31 33.15 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.909 0.385 . . . . 0.0 110.008 176.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.476 ' CE1' ' HB3' ' A' ' 5' ' ' LEU . 77.6 m-85 -131.34 121.02 23.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.424 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.2 m -107.71 118.56 37.06 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 176.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -136.38 114.25 11.26 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.052 -176.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.32 -112.76 4.0 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.214 -177.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -119.89 15.28 12.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.936 0.398 . . . . 0.0 110.609 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.2 tt -126.46 119.17 53.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.674 0.75 . . . . 0.0 110.78 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.2 t -126.69 137.64 53.29 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.447 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -138.04 152.04 48.45 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.88 -176.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 87.5 m -128.34 132.02 48.6 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.552 176.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.83 129.46 33.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.971 0.415 . . . . 0.0 110.537 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.646 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.617 179.018 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 . . . . . 0 N--CA 1.451 -0.397 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.1 mt -117.41 119.6 35.58 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 34.6 t -121.02 132.27 54.8 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.445 -178.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -121.2 121.38 37.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.091 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.1 m -138.1 126.33 23.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.433 -177.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -151.28 106.03 3.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.372 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.32 -109.23 3.37 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.333 177.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -109.06 -1.9 18.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.846 0.355 . . . . 0.0 111.074 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.3 tp -112.95 123.19 68.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.29 0.567 . . . . 0.0 110.215 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.5 t -145.45 117.97 8.55 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.735 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -143.21 146.21 33.46 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -178.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 19.7 m -121.64 136.03 54.96 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.425 -176.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -118.09 119.78 62.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.21 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.603 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.182 -179.906 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.428 0.156 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.37 -63.44 4.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.605 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 154.13 -59.18 0.39 Allowed Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -127.84 131.99 49.45 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.5 mt -117.24 120.19 37.49 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.196 -177.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 17.5 m -112.37 119.79 39.46 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -178.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -114.34 120.02 38.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.607 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 35.1 m -107.48 123.13 47.96 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -125.59 86.43 2.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.927 0.394 . . . . 0.0 110.484 -176.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.81 -110.77 3.35 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.128 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -109.84 19.69 18.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.021 0.438 . . . . 0.0 110.819 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.9 tt -138.59 128.78 33.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.92 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 46.6 t -134.63 126.77 29.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.105 0.479 . . . . 0.0 110.729 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -123.1 151.95 41.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.601 -178.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 31.1 t -138.74 133.26 31.97 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.349 -178.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.8 m -120.23 138.36 51.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.067 0.46 . . . . 0.0 111.396 -176.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.93 149.75 18.68 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.752 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 . . . . . 0 C--O 1.244 0.798 0 CA-C-O 118.448 -0.787 . . . . 0.0 110.667 -177.208 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.0 mtp-105 . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -148.91 139.33 7.45 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.855 178.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.55 -32.84 14.72 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.74 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -120.88 150.71 40.64 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 71.4 mt -112.58 136.35 52.23 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 73.8 m -112.89 136.11 52.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.934 0.397 . . . . 0.0 111.053 -174.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -129.75 129.49 44.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.639 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 62.0 m -107.3 118.44 36.73 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -123.16 90.6 3.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.732 -173.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.38 -103.3 1.39 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.485 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 46.7 p90 -101.71 -8.04 22.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.755 0.312 . . . . 0.0 111.406 -176.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 tp -127.72 127.18 68.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.2 0.524 . . . . 0.0 111.129 -177.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 49.3 t -120.78 123.87 43.69 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.47 176.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -131.94 153.02 50.72 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.514 -172.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 35.8 m -118.91 136.72 53.91 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.92 0.391 . . . . 0.0 110.819 -179.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.6 m -116.29 150.34 18.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.263 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.31 131.14 2.5 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.896 -0.668 . . . . 0.0 111.876 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 . . . . . 0 C--O 1.245 0.825 0 CA-C-O 118.683 -0.675 . . . . 0.0 109.702 179.686 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 24.1 tpp180 . . . . . 0 N--CA 1.482 1.127 0 CA-C-O 120.794 0.33 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.24 -85.62 0.13 Allowed Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.921 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.11 -152.65 19.78 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.734 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -162.68 133.08 4.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.155 0.502 . . . . 0.0 110.988 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.2 mt -117.28 119.49 35.33 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.5 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 33.8 m -112.14 121.53 45.21 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.921 0.391 . . . . 0.0 110.129 -176.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 80.8 m-85 -113.01 118.85 35.97 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.9 t -129.52 119.23 23.35 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -149.06 109.87 4.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.515 -175.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.75 -110.32 3.22 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.24 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -112.46 6.95 18.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.845 0.355 . . . . 0.0 111.089 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.2 tt -120.24 119.19 59.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.307 0.575 . . . . 0.0 110.266 175.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 7' ' ' TYR . 59.0 m -143.83 120.78 11.34 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.076 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -145.69 151.32 37.82 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.527 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 48.4 t -133.72 134.16 42.69 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.411 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.2 m -112.75 134.55 54.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.872 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -127.41 149.58 17.9 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.395 -0.907 . . . . 0.0 112.787 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.678 -0.677 . . . . 0.0 109.607 177.391 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.33 -139.86 5.96 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.192 -1.004 . . . . 0.0 112.586 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.3 44.69 3.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.737 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -119.68 125.02 47.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.7 mt -127.8 125.45 39.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.665 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 10.9 t -113.74 133.71 55.19 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.639 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -123.03 127.94 49.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.799 -175.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 57.4 m -109.57 119.57 39.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.629 177.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -113.95 88.47 2.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.964 0.411 . . . . 0.0 110.623 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.99 -86.29 0.38 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.899 177.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.7 p-90 -114.11 -17.1 12.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.647 0.26 . . . . 0.0 111.207 -177.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 tt -113.72 119.58 61.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.028 0.442 . . . . 0.0 110.757 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 42.4 t -125.71 128.76 48.28 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.0 0.428 . . . . 0.0 110.443 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -137.23 150.56 47.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.94 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 7.0 m -114.99 134.9 54.79 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.565 -177.072 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.8 m -113.61 135.99 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.109 0.48 . . . . 0.0 111.104 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -162.01 146.54 12.18 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 119.345 -0.359 . . . . 0.0 110.844 -177.935 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 52.9 mtm180 . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 120.738 0.304 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.03 -78.96 0.41 Allowed Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.835 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 66.76 48.08 63.64 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.698 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -132.66 128.64 37.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.98 0.419 . . . . 0.0 110.53 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.5 mt -121.22 125.26 46.68 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 8.2 m -112.02 122.75 48.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.912 0.387 . . . . 0.0 110.507 -174.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -113.5 124.82 53.3 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.498 -175.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 64.0 m -107.27 119.69 40.08 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -131.76 113.85 14.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.727 -173.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 66.51 -112.64 5.05 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.547 177.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.421 ' CD1' HG23 ' A' ' 12' ' ' ILE . 20.2 p90 -103.85 0.05 29.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.712 0.292 . . . . 0.0 111.142 -175.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.421 HG23 ' CD1' ' A' ' 11' ' ' TRP . 39.0 pt -128.04 152.22 35.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.033 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 44.7 t -139.27 128.3 23.71 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.846 0.355 . . . . 0.0 110.122 174.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -128.98 151.35 49.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.86 -175.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 34.1 t -130.1 131.42 45.72 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.321 -178.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.1 t -113.5 119.14 60.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.072 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.86 136.89 4.59 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.642 -0.694 . . . . 0.0 109.799 -179.229 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.41 -76.88 1.08 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.548 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.06 -30.31 65.61 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.893 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -113.91 120.98 42.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.679 0.276 . . . . 0.0 110.48 176.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.6 mt -128.72 126.36 39.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.204 177.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.7 m -137.23 124.14 21.37 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.008 0.432 . . . . 0.0 110.543 -175.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -136.19 150.21 48.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.612 -175.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 56.3 m -108.06 123.15 48.24 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -127.15 115.17 18.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.902 0.382 . . . . 0.0 111.006 -173.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.14 -108.35 2.68 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.757 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -122.72 3.01 9.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.08 0.467 . . . . 0.0 110.6 176.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.5 pt -117.4 150.39 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.868 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 25.1 t -130.93 139.79 50.1 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -128.47 152.3 48.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.188 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.7 t -142.28 116.94 9.77 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.97 119.69 58.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.739 0.304 . . . . 0.0 110.775 -174.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.31 160.27 29.39 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.226 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.706 -0.664 . . . . 0.0 109.626 177.858 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 120.821 0.344 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 108.42 127.48 5.6 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.563 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.53 64.48 3.81 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.401 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 72.8 mtm180 -115.96 119.58 36.37 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 177.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.4 mt -127.39 131.17 50.36 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.49 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.2 m -114.46 135.18 54.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.099 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -120.7 119.58 33.21 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.1 m -108.33 125.03 51.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.638 -175.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.4 mtm105 -125.51 83.32 2.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.079 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 69.97 -100.69 0.79 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.957 177.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -100.4 7.51 44.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.741 0.305 . . . . 0.0 111.6 -174.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.2 tp -137.31 119.78 19.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.233 0.54 . . . . 0.0 110.778 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.6 t -134.72 119.37 18.16 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -113.79 151.6 31.8 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.23 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.8 m -120.73 133.69 55.33 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.73 -177.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 49.6 t -112.54 120.85 63.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.717 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -113.59 126.54 7.44 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.802 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.77 -0.633 . . . . 0.0 109.933 -179.17 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 121.107 0.48 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.68 47.27 0.58 Allowed Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.89 -24.86 73.12 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.227 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.409 ' HA ' ' HA2' ' A' ' 17' ' ' GLY . 19.7 ptp180 -126.91 146.78 50.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.861 0.362 . . . . 0.0 110.408 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.0 mt -117.4 120.89 39.54 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.654 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 57.3 m -111.8 121.87 46.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.979 0.419 . . . . 0.0 110.083 -175.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -114.67 119.51 36.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.706 -175.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 60.2 m -107.85 133.83 51.66 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 175.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -144.1 108.76 4.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.075 0.464 . . . . 0.0 110.73 -174.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.26 -112.31 3.84 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.149 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 7.2 m-90 -104.78 -8.43 18.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.893 0.377 . . . . 0.0 110.88 -178.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.4 pt -117.01 150.53 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.868 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 42.8 t -142.8 140.48 31.36 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -139.9 152.1 46.15 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 36.4 t -134.83 134.88 41.27 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.778 -177.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.3 m -114.49 123.9 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.362 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 4' ' ' ARG . . . -113.19 119.25 4.79 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.508 -177.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.45 -0.786 . . . . 0.0 109.566 176.754 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.93 -89.65 0.57 Allowed Glycine 0 C--N 1.331 0.264 0 C-N-CA 121.189 -0.529 . . . . 0.0 113.485 175.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.18 -41.41 99.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.341 -176.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -152.21 150.59 29.99 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.555 ' O ' ' HA ' ' A' ' 15' ' ' CYS . 76.5 mt -114.46 119.7 37.75 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.109 177.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.2 m -119.89 119.31 33.15 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.909 0.385 . . . . 0.0 110.008 176.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.476 ' CE1' ' HB3' ' A' ' 5' ' ' LEU . 77.6 m-85 -131.34 121.02 23.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.424 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.2 m -107.71 118.56 37.06 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 176.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -136.38 114.25 11.26 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.052 -176.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.32 -112.76 4.0 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.214 -177.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -119.89 15.28 12.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.936 0.398 . . . . 0.0 110.609 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.2 tt -126.46 119.17 53.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.674 0.75 . . . . 0.0 110.78 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.2 t -126.69 137.64 53.29 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.447 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -138.04 152.04 48.45 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.88 -176.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 87.5 m -128.34 132.02 48.6 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.552 176.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.83 129.46 33.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.971 0.415 . . . . 0.0 110.537 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -115.18 109.58 2.12 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.617 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.528 -0.748 . . . . 0.0 109.949 -178.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.841 0.353 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.08 -142.25 7.24 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.525 -0.63 . . . . 0.0 111.525 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.1 148.76 4.92 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.338 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -122.26 118.85 29.52 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 176.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.1 mt -117.41 119.6 35.58 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 34.6 t -121.02 132.27 54.8 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.445 -178.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -121.2 121.38 37.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.091 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.1 m -138.1 126.33 23.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.433 -177.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -151.28 106.03 3.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.372 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.32 -109.23 3.37 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.333 177.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -109.06 -1.9 18.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.846 0.355 . . . . 0.0 111.074 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.3 tp -112.95 123.19 68.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.29 0.567 . . . . 0.0 110.215 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.5 t -145.45 117.97 8.55 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.735 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -143.21 146.21 33.46 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -178.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 19.7 m -121.64 136.03 54.96 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.425 -176.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -118.09 119.78 62.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.21 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -135.17 152.14 20.72 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.182 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.355 -179.139 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.5 mt -117.24 120.19 37.49 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.196 -177.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 17.5 m -112.37 119.79 39.46 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -178.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -114.34 120.02 38.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.607 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 35.1 m -107.48 123.13 47.96 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -125.59 86.43 2.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.927 0.394 . . . . 0.0 110.484 -176.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.81 -110.77 3.35 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.128 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -109.84 19.69 18.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.021 0.438 . . . . 0.0 110.819 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.9 tt -138.59 128.78 33.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.92 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 46.6 t -134.63 126.77 29.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.105 0.479 . . . . 0.0 110.729 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -123.1 151.95 41.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.601 -178.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 31.1 t -138.74 133.26 31.97 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.349 -178.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.8 m -120.23 138.36 51.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.067 0.46 . . . . 0.0 111.396 -176.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.666 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.752 178.654 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 71.4 mt -112.58 136.35 52.23 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 73.8 m -112.89 136.11 52.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.934 0.397 . . . . 0.0 111.053 -174.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -129.75 129.49 44.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.639 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 62.0 m -107.3 118.44 36.73 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -123.16 90.6 3.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.732 -173.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.38 -103.3 1.39 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.485 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 46.7 p90 -101.71 -8.04 22.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.755 0.312 . . . . 0.0 111.406 -176.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 tp -127.72 127.18 68.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.2 0.524 . . . . 0.0 111.129 -177.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 49.3 t -120.78 123.87 43.69 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.47 176.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -131.94 153.02 50.72 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.514 -172.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 35.8 m -118.91 136.72 53.91 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.92 0.391 . . . . 0.0 110.819 -179.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.6 m -116.29 150.34 18.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.263 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 C-N-CA 120.896 -0.668 . . . . 0.0 111.876 178.541 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 121.155 0.502 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.2 mt -117.28 119.49 35.33 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.5 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 33.8 m -112.14 121.53 45.21 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.921 0.391 . . . . 0.0 110.129 -176.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 80.8 m-85 -113.01 118.85 35.97 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.9 t -129.52 119.23 23.35 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -149.06 109.87 4.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.515 -175.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.75 -110.32 3.22 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.24 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -112.46 6.95 18.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.845 0.355 . . . . 0.0 111.089 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.2 tt -120.24 119.19 59.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.307 0.575 . . . . 0.0 110.266 175.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 7' ' ' TYR . 59.0 m -143.83 120.78 11.34 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.076 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -145.69 151.32 37.82 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.527 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 48.4 t -133.72 134.16 42.69 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.411 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.2 m -112.75 134.55 54.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.872 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.905 0 C-N-CA 120.395 -0.907 . . . . 0.0 112.787 -175.021 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.7 mt -127.8 125.45 39.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.665 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 10.9 t -113.74 133.71 55.19 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.639 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -123.03 127.94 49.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.799 -175.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 57.4 m -109.57 119.57 39.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.629 177.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -113.95 88.47 2.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.964 0.411 . . . . 0.0 110.623 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.99 -86.29 0.38 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.899 177.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.7 p-90 -114.11 -17.1 12.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.647 0.26 . . . . 0.0 111.207 -177.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 tt -113.72 119.58 61.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.028 0.442 . . . . 0.0 110.757 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 42.4 t -125.71 128.76 48.28 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.0 0.428 . . . . 0.0 110.443 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -137.23 150.56 47.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.94 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 7.0 m -114.99 134.9 54.79 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.565 -177.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.8 m -113.61 135.99 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.109 0.48 . . . . 0.0 111.104 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.521 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.435 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.98 0.419 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.5 mt -121.22 125.26 46.68 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 8.2 m -112.02 122.75 48.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.912 0.387 . . . . 0.0 110.507 -174.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -113.5 124.82 53.3 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.498 -175.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 64.0 m -107.27 119.69 40.08 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -131.76 113.85 14.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.727 -173.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 66.51 -112.64 5.05 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.547 177.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.421 ' CD1' HG23 ' A' ' 12' ' ' ILE . 20.2 p90 -103.85 0.05 29.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.712 0.292 . . . . 0.0 111.142 -175.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.421 HG23 ' CD1' ' A' ' 11' ' ' TRP . 39.0 pt -128.04 152.22 35.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.033 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 44.7 t -139.27 128.3 23.71 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.846 0.355 . . . . 0.0 110.122 174.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -128.98 151.35 49.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.86 -175.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 34.1 t -130.1 131.42 45.72 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.321 -178.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.1 t -113.5 119.14 60.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.072 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.785 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 -178.795 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.679 0.276 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.6 mt -128.72 126.36 39.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.204 177.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.7 m -137.23 124.14 21.37 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.008 0.432 . . . . 0.0 110.543 -175.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -136.19 150.21 48.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.612 -175.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 56.3 m -108.06 123.15 48.24 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -127.15 115.17 18.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.902 0.382 . . . . 0.0 111.006 -173.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.14 -108.35 2.68 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.757 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -122.72 3.01 9.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.08 0.467 . . . . 0.0 110.6 176.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.5 pt -117.4 150.39 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.868 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 25.1 t -130.93 139.79 50.1 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -128.47 152.3 48.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.188 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.7 t -142.28 116.94 9.77 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.97 119.69 58.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.739 0.304 . . . . 0.0 110.775 -174.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.82 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.226 179.615 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 72.8 mtm180 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.4 mt -127.39 131.17 50.36 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.49 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.2 m -114.46 135.18 54.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.099 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -120.7 119.58 33.21 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.1 m -108.33 125.03 51.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.638 -175.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.4 mtm105 -125.51 83.32 2.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.079 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 69.97 -100.69 0.79 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.957 177.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -100.4 7.51 44.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.741 0.305 . . . . 0.0 111.6 -174.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.2 tp -137.31 119.78 19.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.233 0.54 . . . . 0.0 110.778 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.6 t -134.72 119.37 18.16 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -113.79 151.6 31.8 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.23 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.8 m -120.73 133.69 55.33 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.73 -177.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 49.6 t -112.54 120.85 63.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.717 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.742 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.802 -179.382 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.409 ' HA ' ' HA2' ' A' ' 17' ' ' GLY . 19.7 ptp180 . . . . . 0 N--CA 1.45 -0.444 0 CA-C-O 120.861 0.362 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.0 mt -117.4 120.89 39.54 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.654 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 57.3 m -111.8 121.87 46.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.979 0.419 . . . . 0.0 110.083 -175.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -114.67 119.51 36.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.706 -175.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 60.2 m -107.85 133.83 51.66 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 175.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -144.1 108.76 4.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.075 0.464 . . . . 0.0 110.73 -174.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.26 -112.31 3.84 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.149 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 7.2 m-90 -104.78 -8.43 18.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.893 0.377 . . . . 0.0 110.88 -178.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.4 pt -117.01 150.53 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.868 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 42.8 t -142.8 140.48 31.36 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -139.9 152.1 46.15 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 36.4 t -134.83 134.88 41.27 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.778 -177.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.3 m -114.49 123.9 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.362 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 4' ' ' ARG . . . . . . . . 0 N--CA 1.447 -0.571 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.508 -177.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 . . . . . 0 N--CA 1.451 -0.399 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.555 ' O ' ' HA ' ' A' ' 15' ' ' CYS . 76.5 mt -114.46 119.7 37.75 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.109 177.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.2 m -119.89 119.31 33.15 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.909 0.385 . . . . 0.0 110.008 176.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.476 ' CE1' ' HB3' ' A' ' 5' ' ' LEU . 77.6 m-85 -131.34 121.02 23.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.424 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.2 m -107.71 118.56 37.06 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 176.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -136.38 114.25 11.26 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.052 -176.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.32 -112.76 4.0 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.214 -177.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -119.89 15.28 12.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.936 0.398 . . . . 0.0 110.609 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.2 tt -126.46 119.17 53.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.674 0.75 . . . . 0.0 110.78 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.2 t -126.69 137.64 53.29 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.447 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -138.04 152.04 48.45 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.88 -176.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 87.5 m -128.34 132.02 48.6 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.552 176.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.83 129.46 33.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.971 0.415 . . . . 0.0 110.537 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.646 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.617 179.018 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 . . . . . 0 N--CA 1.451 -0.397 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.1 mt -117.41 119.6 35.58 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 34.6 t -121.02 132.27 54.8 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.445 -178.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -121.2 121.38 37.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.091 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.1 m -138.1 126.33 23.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.433 -177.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -151.28 106.03 3.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.372 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.32 -109.23 3.37 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.333 177.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -109.06 -1.9 18.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.846 0.355 . . . . 0.0 111.074 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.3 tp -112.95 123.19 68.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.29 0.567 . . . . 0.0 110.215 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.5 t -145.45 117.97 8.55 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.735 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -143.21 146.21 33.46 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -178.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 19.7 m -121.64 136.03 54.96 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.425 -176.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -118.09 119.78 62.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.21 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.603 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.182 -179.906 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.428 0.156 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.37 -63.44 4.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.605 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 154.13 -59.18 0.39 Allowed Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -127.84 131.99 49.45 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.5 mt -117.24 120.19 37.49 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.196 -177.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 17.5 m -112.37 119.79 39.46 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -178.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -114.34 120.02 38.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.607 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 35.1 m -107.48 123.13 47.96 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -125.59 86.43 2.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.927 0.394 . . . . 0.0 110.484 -176.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.81 -110.77 3.35 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.128 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -109.84 19.69 18.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.021 0.438 . . . . 0.0 110.819 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.9 tt -138.59 128.78 33.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.92 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 46.6 t -134.63 126.77 29.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.105 0.479 . . . . 0.0 110.729 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -123.1 151.95 41.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.601 -178.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 31.1 t -138.74 133.26 31.97 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.349 -178.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.8 m -120.23 138.36 51.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.067 0.46 . . . . 0.0 111.396 -176.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.93 149.75 18.68 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.752 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 . . . . . 0 C--O 1.244 0.798 0 CA-C-O 118.448 -0.787 . . . . 0.0 110.667 -177.208 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.0 mtp-105 . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -148.91 139.33 7.45 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.855 178.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.55 -32.84 14.72 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.74 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -120.88 150.71 40.64 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 71.4 mt -112.58 136.35 52.23 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 73.8 m -112.89 136.11 52.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.934 0.397 . . . . 0.0 111.053 -174.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -129.75 129.49 44.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.639 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 62.0 m -107.3 118.44 36.73 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -123.16 90.6 3.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.732 -173.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.38 -103.3 1.39 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.485 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 46.7 p90 -101.71 -8.04 22.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.755 0.312 . . . . 0.0 111.406 -176.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 tp -127.72 127.18 68.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.2 0.524 . . . . 0.0 111.129 -177.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 49.3 t -120.78 123.87 43.69 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.47 176.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -131.94 153.02 50.72 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.514 -172.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 35.8 m -118.91 136.72 53.91 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.92 0.391 . . . . 0.0 110.819 -179.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.6 m -116.29 150.34 18.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.263 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.31 131.14 2.5 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.896 -0.668 . . . . 0.0 111.876 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 . . . . . 0 C--O 1.245 0.825 0 CA-C-O 118.683 -0.675 . . . . 0.0 109.702 179.686 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 24.1 tpp180 . . . . . 0 N--CA 1.482 1.127 0 CA-C-O 120.794 0.33 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.24 -85.62 0.13 Allowed Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.921 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.11 -152.65 19.78 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.734 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -162.68 133.08 4.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.155 0.502 . . . . 0.0 110.988 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.2 mt -117.28 119.49 35.33 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.5 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 33.8 m -112.14 121.53 45.21 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.921 0.391 . . . . 0.0 110.129 -176.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 80.8 m-85 -113.01 118.85 35.97 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.9 t -129.52 119.23 23.35 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -149.06 109.87 4.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.515 -175.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.75 -110.32 3.22 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.24 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -112.46 6.95 18.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.845 0.355 . . . . 0.0 111.089 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.2 tt -120.24 119.19 59.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.307 0.575 . . . . 0.0 110.266 175.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 7' ' ' TYR . 59.0 m -143.83 120.78 11.34 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.076 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -145.69 151.32 37.82 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.527 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 48.4 t -133.72 134.16 42.69 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.411 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.2 m -112.75 134.55 54.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.872 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -127.41 149.58 17.9 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.395 -0.907 . . . . 0.0 112.787 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.678 -0.677 . . . . 0.0 109.607 177.391 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.33 -139.86 5.96 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.192 -1.004 . . . . 0.0 112.586 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.3 44.69 3.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.737 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -119.68 125.02 47.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.7 mt -127.8 125.45 39.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.665 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 10.9 t -113.74 133.71 55.19 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.639 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -123.03 127.94 49.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.799 -175.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 57.4 m -109.57 119.57 39.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.629 177.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -113.95 88.47 2.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.964 0.411 . . . . 0.0 110.623 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.99 -86.29 0.38 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.899 177.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.7 p-90 -114.11 -17.1 12.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.647 0.26 . . . . 0.0 111.207 -177.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 tt -113.72 119.58 61.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.028 0.442 . . . . 0.0 110.757 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 42.4 t -125.71 128.76 48.28 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.0 0.428 . . . . 0.0 110.443 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -137.23 150.56 47.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.94 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 7.0 m -114.99 134.9 54.79 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.565 -177.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.8 m -113.61 135.99 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.109 0.48 . . . . 0.0 111.104 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -162.01 146.54 12.18 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 119.345 -0.359 . . . . 0.0 110.844 -177.935 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 52.9 mtm180 . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 120.738 0.304 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.03 -78.96 0.41 Allowed Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.835 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 66.76 48.08 63.64 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.698 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -132.66 128.64 37.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.98 0.419 . . . . 0.0 110.53 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.5 mt -121.22 125.26 46.68 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 8.2 m -112.02 122.75 48.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.912 0.387 . . . . 0.0 110.507 -174.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -113.5 124.82 53.3 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.498 -175.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 64.0 m -107.27 119.69 40.08 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -131.76 113.85 14.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.727 -173.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 66.51 -112.64 5.05 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.547 177.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.421 ' CD1' HG23 ' A' ' 12' ' ' ILE . 20.2 p90 -103.85 0.05 29.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.712 0.292 . . . . 0.0 111.142 -175.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.421 HG23 ' CD1' ' A' ' 11' ' ' TRP . 39.0 pt -128.04 152.22 35.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.033 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 44.7 t -139.27 128.3 23.71 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.846 0.355 . . . . 0.0 110.122 174.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -128.98 151.35 49.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.86 -175.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 34.1 t -130.1 131.42 45.72 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.321 -178.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.1 t -113.5 119.14 60.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.072 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.86 136.89 4.59 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.642 -0.694 . . . . 0.0 109.799 -179.229 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.41 -76.88 1.08 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.548 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.06 -30.31 65.61 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.893 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -113.91 120.98 42.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.679 0.276 . . . . 0.0 110.48 176.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.6 mt -128.72 126.36 39.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.204 177.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.7 m -137.23 124.14 21.37 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.008 0.432 . . . . 0.0 110.543 -175.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -136.19 150.21 48.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.612 -175.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 56.3 m -108.06 123.15 48.24 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -127.15 115.17 18.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.902 0.382 . . . . 0.0 111.006 -173.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.14 -108.35 2.68 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.757 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -122.72 3.01 9.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.08 0.467 . . . . 0.0 110.6 176.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.5 pt -117.4 150.39 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.868 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 25.1 t -130.93 139.79 50.1 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -128.47 152.3 48.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.188 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.7 t -142.28 116.94 9.77 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.97 119.69 58.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.739 0.304 . . . . 0.0 110.775 -174.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.31 160.27 29.39 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.226 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.706 -0.664 . . . . 0.0 109.626 177.858 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 120.821 0.344 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 108.42 127.48 5.6 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.563 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.53 64.48 3.81 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.401 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 72.8 mtm180 -115.96 119.58 36.37 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 177.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.4 mt -127.39 131.17 50.36 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.49 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.2 m -114.46 135.18 54.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.099 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -120.7 119.58 33.21 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.1 m -108.33 125.03 51.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.638 -175.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.4 mtm105 -125.51 83.32 2.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.079 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 69.97 -100.69 0.79 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.957 177.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -100.4 7.51 44.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.741 0.305 . . . . 0.0 111.6 -174.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.2 tp -137.31 119.78 19.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.233 0.54 . . . . 0.0 110.778 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.6 t -134.72 119.37 18.16 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -113.79 151.6 31.8 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.23 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.8 m -120.73 133.69 55.33 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.73 -177.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 49.6 t -112.54 120.85 63.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.717 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -113.59 126.54 7.44 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.802 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.77 -0.633 . . . . 0.0 109.933 -179.17 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 121.107 0.48 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.68 47.27 0.58 Allowed Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.89 -24.86 73.12 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.227 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.409 ' HA ' ' HA2' ' A' ' 17' ' ' GLY . 19.7 ptp180 -126.91 146.78 50.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.861 0.362 . . . . 0.0 110.408 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.0 mt -117.4 120.89 39.54 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.654 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 57.3 m -111.8 121.87 46.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.979 0.419 . . . . 0.0 110.083 -175.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -114.67 119.51 36.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.706 -175.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 60.2 m -107.85 133.83 51.66 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 175.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -144.1 108.76 4.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.075 0.464 . . . . 0.0 110.73 -174.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.26 -112.31 3.84 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.149 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 7.2 m-90 -104.78 -8.43 18.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.893 0.377 . . . . 0.0 110.88 -178.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.4 pt -117.01 150.53 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.868 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 42.8 t -142.8 140.48 31.36 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -139.9 152.1 46.15 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 36.4 t -134.83 134.88 41.27 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.778 -177.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.3 m -114.49 123.9 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.362 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 4' ' ' ARG . . . -113.19 119.25 4.79 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.508 -177.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.45 -0.786 . . . . 0.0 109.566 176.754 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.93 -89.65 0.57 Allowed Glycine 0 C--N 1.331 0.264 0 C-N-CA 121.189 -0.529 . . . . 0.0 113.485 175.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.18 -41.41 99.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.341 -176.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -152.21 150.59 29.99 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.555 ' O ' ' HA ' ' A' ' 15' ' ' CYS . 76.5 mt -114.46 119.7 37.75 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.109 177.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.2 m -119.89 119.31 33.15 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.909 0.385 . . . . 0.0 110.008 176.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.476 ' CE1' ' HB3' ' A' ' 5' ' ' LEU . 77.6 m-85 -131.34 121.02 23.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.424 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.2 m -107.71 118.56 37.06 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 176.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -136.38 114.25 11.26 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.052 -176.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.32 -112.76 4.0 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.214 -177.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -119.89 15.28 12.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.936 0.398 . . . . 0.0 110.609 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.2 tt -126.46 119.17 53.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.674 0.75 . . . . 0.0 110.78 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.2 t -126.69 137.64 53.29 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.447 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -138.04 152.04 48.45 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.88 -176.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 87.5 m -128.34 132.02 48.6 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.552 176.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.83 129.46 33.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.971 0.415 . . . . 0.0 110.537 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -115.18 109.58 2.12 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.617 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.528 -0.748 . . . . 0.0 109.949 -178.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.841 0.353 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.08 -142.25 7.24 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.525 -0.63 . . . . 0.0 111.525 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.1 148.76 4.92 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.338 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -122.26 118.85 29.52 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 176.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.1 mt -117.41 119.6 35.58 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 34.6 t -121.02 132.27 54.8 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.445 -178.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -121.2 121.38 37.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.091 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.1 m -138.1 126.33 23.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.433 -177.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -151.28 106.03 3.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.372 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.32 -109.23 3.37 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.333 177.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -109.06 -1.9 18.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.846 0.355 . . . . 0.0 111.074 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.3 tp -112.95 123.19 68.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.29 0.567 . . . . 0.0 110.215 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.5 t -145.45 117.97 8.55 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.735 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -143.21 146.21 33.46 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -178.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 19.7 m -121.64 136.03 54.96 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.425 -176.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -118.09 119.78 62.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.21 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -135.17 152.14 20.72 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.182 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.355 -179.139 . . . . . . . . 0 0 . 1 stop_ save_