data_6pip_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 6pip _Structure_validation_residue.Date_analyzed 2019-09-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.7 t-105 . . . . . 0 N--CA 1.442 -0.834 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.8 m -108.7 123.77 49.5 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -130.51 149.23 52.28 Favored 'General case' 0 N--CA 1.421 -1.921 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.212 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -82.47 123.5 29.21 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.942 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 45.0 t -111.54 116.78 53.45 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.8 m -109.59 119.13 38.45 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 174.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -130.02 109.44 10.86 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.339 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 63.08 23.89 14.19 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.734 0.814 . . . . 0.0 111.528 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.12 -14.02 60.04 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.852 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.8 mt -86.31 107.31 16.49 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 76.8 m -106.57 127.66 53.51 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.465 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -139.17 146.77 40.98 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 120.813 0.34 . . . . 0.0 111.53 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -82.37 98.77 9.02 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -92.5 127.27 37.94 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.0 m -109.7 111.27 22.63 Favored 'General case' 0 C--N 1.281 -2.381 0 CA-C-O 121.433 0.635 . . . . 0.0 110.33 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 . . . . . 0 C--N 1.31 -1.137 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -177.83 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 . . . . . 0 N--CA 1.44 -0.953 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.7 m -108.46 125.4 51.74 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -138.02 170.29 16.29 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.022 -176.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -91.38 124.06 35.28 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.923 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 87.0 t -120.71 122.72 68.65 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 177.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 83.5 m -110.75 119.24 38.47 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 177.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -118.04 107.25 13.79 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.382 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 63.1 25.93 15.14 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.977 0.911 . . . . 0.0 110.805 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.18 -11.31 60.23 Favored Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 121.225 -0.512 . . . . 0.0 111.908 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.9 mt -89.44 103.89 14.5 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 60.6 m -95.98 130.31 43.0 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -137.15 159.48 41.77 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.444 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -83.67 102.69 12.41 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.648 177.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -98.49 125.85 43.83 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.0 m -109.91 111.33 22.68 Favored 'General case' 0 C--N 1.282 -2.367 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.782 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 . . . . . 0 C--N 1.297 -1.697 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 -178.174 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 13.5 t-105 . . . . . 0 N--CA 1.447 -0.613 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.9 m -128.33 136.2 50.64 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -146.27 168.62 20.62 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -83.78 118.84 24.18 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 121.161 0.505 . . . . 0.0 111.179 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.4 t -109.78 124.54 66.59 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.2 m -111.38 124.59 52.56 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-O 120.981 0.42 . . . . 0.0 111.127 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -129.73 111.95 13.15 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.029 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 64.7 20.0 12.0 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.053 0.941 . . . . 0.0 111.646 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.18 -16.41 58.2 Favored Glycine 0 C--N 1.308 -0.996 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.1 mt -80.46 104.75 9.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.2 m -103.94 125.28 50.21 Favored 'General case' 0 C--N 1.286 -2.153 0 CA-C-O 121.273 0.559 . . . . 0.0 110.439 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -133.25 151.97 51.93 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -86.09 102.29 13.72 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -92.24 138.63 31.37 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.1 m -109.78 135.3 50.9 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-O 120.956 0.408 . . . . 0.0 110.809 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 . . . . . 0 C--N 1.309 -1.161 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 177.402 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 7.7 t-105 . . . . . 0 N--CA 1.434 -1.234 0 CA-C-O 120.791 0.329 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 99.9 m -109.88 126.98 54.42 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 175.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -136.89 170.16 16.56 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -100.63 129.64 46.58 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -177.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.4 t -118.66 130.42 73.52 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.8 m -109.66 119.48 39.52 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -120.71 104.77 10.17 Favored 'General case' 0 N--CA 1.423 -1.816 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.702 -178.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 60.96 30.59 19.71 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.252 1.021 . . . . 0.0 111.321 176.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.44 -9.98 59.31 Favored Glycine 0 C--O 1.241 0.564 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.433 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.5 mt -95.51 108.53 21.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.5 m -98.88 129.31 45.23 Favored 'General case' 0 C--N 1.288 -2.08 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -139.24 163.57 32.1 Favored 'General case' 0 N--CA 1.42 -1.966 0 CA-C-O 121.071 0.462 . . . . 0.0 110.326 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -86.49 105.44 16.8 Favored 'General case' 0 C--N 1.288 -2.085 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.239 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -98.9 128.85 45.19 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 175.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.9 m -110.45 123.97 50.9 Favored 'General case' 0 C--N 1.282 -2.328 0 CA-C-O 121.187 0.517 . . . . 0.0 110.34 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 . . . . . 0 C--N 1.298 -1.654 0 N-CA-C 106.754 -1.572 . . . . 0.0 106.754 177.487 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 6.6 t-105 . . . . . 0 N--CA 1.422 -1.828 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.8 m -109.85 128.23 55.2 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.965 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -132.91 160.58 36.59 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.273 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -92.52 126.71 37.73 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.129 0.49 . . . . 0.0 110.245 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.1 t -115.92 123.14 70.9 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 175.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.0 m -109.63 120.62 43.04 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-O 121.123 0.487 . . . . 0.0 109.774 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -124.59 110.44 14.44 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 63.63 25.74 14.39 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.491 0.716 . . . . 0.0 111.698 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.16 -13.38 67.47 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.431 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.4 mt -84.33 100.63 7.9 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.2 m -97.36 124.51 41.54 Favored 'General case' 0 C--N 1.291 -1.967 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.007 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -128.18 148.57 50.61 Favored 'General case' 0 N--CA 1.412 -2.341 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -89.27 100.28 13.09 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -87.46 133.99 33.67 Favored 'General case' 0 C--N 1.289 -2.04 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.379 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.8 m -116.81 136.06 53.26 Favored 'General case' 0 C--N 1.281 -2.41 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 . . . . . 0 C--N 1.302 -1.489 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 178.116 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 . . . . . 0 N--CA 1.44 -0.968 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 65.5 m -109.34 136.86 48.1 Favored 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 120.775 0.322 . . . . 0.0 110.611 -179.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -148.22 154.1 39.64 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.003 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -82.3 123.44 29.06 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 121.043 0.449 . . . . 0.0 111.38 -177.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 45.4 t -114.35 126.38 71.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.5 m -110.2 118.79 37.31 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 121.242 0.544 . . . . 0.0 109.585 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -132.96 109.94 9.92 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.037 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 62.21 26.0 15.58 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.106 0.563 . . . . 0.0 112.072 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.76 -15.36 59.71 Favored Glycine 0 N--CA 1.442 -0.93 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.1 mt -84.81 102.02 10.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 71.1 m -102.96 112.68 25.62 Favored 'General case' 0 C--N 1.289 -2.06 0 CA-C-O 121.202 0.525 . . . . 0.0 109.755 178.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -128.4 154.4 46.06 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -93.22 99.31 11.9 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -82.04 135.82 35.3 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.246 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.8 m -109.47 117.76 34.86 Favored 'General case' 0 C--N 1.279 -2.474 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.769 177.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 . . . . . 0 C--N 1.298 -1.648 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 177.673 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 . . . . . 0 N--CA 1.445 -0.676 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.2 m -109.1 129.01 55.47 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 177.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.411 ' CE1' HG21 ' A' ' 6' ' ' VAL . 6.0 p90 -148.68 164.42 34.39 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -80.04 123.36 27.77 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.373 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.504 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 37.3 t -116.67 121.36 67.5 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.172 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.2 m -109.95 118.99 37.91 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -126.76 113.96 17.33 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -177.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 64.69 19.89 11.96 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.425 0.69 . . . . 0.0 110.524 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.02 -9.37 75.34 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 -176.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.2 mt -86.39 110.02 19.54 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 60.5 m -101.42 130.88 47.73 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-O 121.065 0.459 . . . . 0.0 110.031 -177.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -141.52 150.36 42.06 Favored 'General case' 0 N--CA 1.422 -1.839 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 -86.99 103.69 15.58 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -96.25 130.89 43.22 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.5 m -109.23 109.05 19.88 Favored 'General case' 0 N--CA 1.417 -2.096 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 175.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 . . . . . 0 C--N 1.294 -1.826 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 -178.113 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 . . . . . 0 N--CA 1.437 -1.089 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.1 m -115.9 135.77 53.68 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -147.29 164.07 34.4 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.373 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 -81.24 127.26 32.5 Favored 'General case' 0 N--CA 1.426 -1.625 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.963 -177.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.6 t -121.6 127.17 75.53 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.061 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 176.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.1 m -112.61 128.9 56.5 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.315 0.578 . . . . 0.0 111.383 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -122.01 102.86 8.43 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.916 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 55.78 35.65 25.76 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.426 0.69 . . . . 0.0 111.967 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.41 -21.6 43.55 Favored Glycine 0 C--N 1.314 -0.659 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.346 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.9 mt -79.78 99.86 3.94 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.5 m -102.15 131.57 48.58 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.054 0.454 . . . . 0.0 110.198 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -138.81 160.34 39.92 Favored 'General case' 0 N--CA 1.421 -1.913 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.187 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -84.49 104.65 14.68 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 175.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -100.9 131.95 46.53 Favored 'General case' 0 C--N 1.286 -2.16 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 177.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.0 m -109.66 131.03 55.44 Favored 'General case' 0 C--N 1.286 -2.167 0 CA-C-O 121.632 0.729 . . . . 0.0 109.901 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? . . . . . 0 C--N 1.293 -1.89 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.442 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 . . . . . 0 N--CA 1.438 -1.033 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 78.4 m -109.95 128.18 55.22 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -134.96 160.55 37.93 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.81 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -87.12 123.03 31.73 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 120.632 0.254 . . . . 0.0 110.855 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 77.2 t -116.48 129.22 73.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 176.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.5 m -109.78 119.62 39.94 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.288 0.566 . . . . 0.0 109.894 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -131.91 109.46 10.1 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.153 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 63.14 28.46 16.0 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.916 0.886 . . . . 0.0 111.569 177.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.82 -19.44 53.33 Favored Glycine 0 C--O 1.244 0.769 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.3 mt -82.89 103.73 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.146 0 C-N-CA 123.615 0.766 . . . . 0.0 108.956 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 81.3 m -99.33 115.36 29.02 Favored 'General case' 0 C--N 1.281 -2.402 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 175.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -121.29 169.67 10.35 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.743 -176.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -92.17 99.16 12.01 Favored 'General case' 0 N--CA 1.426 -1.67 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 23.0 tptm -84.84 119.54 25.44 Favored 'General case' 0 C--N 1.289 -2.04 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.6 m -111.68 109.79 19.85 Favored 'General case' 0 C--N 1.277 -2.574 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.891 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? . . . . . 0 N--CA 1.423 -1.818 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 178.941 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 . . . . . 0 N--CA 1.44 -0.974 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 77.3 m -108.44 123.53 49.0 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 177.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -141.77 170.4 15.78 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.005 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -88.23 127.02 35.45 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 81.8 t -110.44 120.67 61.8 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.245 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 175.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.9 m -109.23 119.48 39.62 Favored 'General case' 0 N--CA 1.421 -1.91 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -125.18 105.26 9.01 Favored 'General case' 0 C--N 1.277 -2.566 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.654 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 64.51 23.51 12.92 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.095 0.958 . . . . 0.0 111.468 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.93 -11.1 58.92 Favored Glycine 0 N--CA 1.441 -1.011 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.113 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.1 mt -86.6 105.63 15.02 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 76.7 m -110.05 119.16 38.42 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-O 120.98 0.419 . . . . 0.0 111.258 -175.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -131.37 160.4 35.16 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -91.85 95.14 9.67 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -99.14 137.14 38.09 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.25 0.548 . . . . 0.0 110.047 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.8 m -109.25 122.16 46.72 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.727 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? . . . . . 0 C--N 1.296 -1.74 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 -178.587 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 . . . . . 0 N--CA 1.447 -0.593 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.1 m -109.34 137.25 47.49 Favored 'General case' 0 C--N 1.283 -2.287 0 CA-C-O 121.177 0.513 . . . . 0.0 109.897 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -145.69 157.69 43.93 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.222 -175.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -96.04 125.44 40.58 Favored 'General case' 0 C--N 1.284 -2.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.938 -177.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 58.7 t -111.36 132.09 60.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 177.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.4 m -109.27 128.85 55.4 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-O 121.322 0.582 . . . . 0.0 110.156 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -139.06 107.39 5.8 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.005 179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 65.5 23.74 11.86 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.468 1.107 . . . . 0.0 111.705 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.33 -11.76 60.02 Favored Glycine 0 C--N 1.306 -1.1 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 -178.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.2 mt -88.68 99.71 9.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.289 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.2 m -97.05 115.85 28.2 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 176.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -121.49 160.9 23.25 Favored 'General case' 0 N--CA 1.418 -2.038 0 CA-C-O 120.87 0.367 . . . . 0.0 110.446 -175.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -91.52 99.72 12.6 Favored 'General case' 0 N--CA 1.417 -2.087 0 CA-C-N 115.143 -0.935 . . . . 0.0 108.678 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -96.26 138.78 33.36 Favored 'General case' 0 C--N 1.285 -2.205 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.0 m -119.78 131.5 55.35 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-O 121.54 0.686 . . . . 0.0 111.037 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 . . . . . 0 C--N 1.295 -1.765 0 N-CA-C 105.609 -1.997 . . . . 0.0 105.609 176.573 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.431 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 3.3 t90 . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.4 m -109.94 119.91 40.8 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 120.939 0.4 . . . . 0.0 110.744 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -129.63 158.92 37.99 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.373 -176.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -88.07 125.41 34.55 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.761 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.497 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 40.7 t -115.9 123.02 70.76 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.6 m -113.18 125.87 54.81 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -136.52 105.77 6.03 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 62.39 26.82 16.01 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.167 0.987 . . . . 0.0 111.106 178.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.27 -12.89 60.24 Favored Glycine 0 N--CA 1.44 -1.099 0 C-N-CA 120.395 -0.907 . . . . 0.0 111.941 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.0 mt -85.5 99.51 7.54 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.8 m -101.69 125.94 48.45 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 176.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -135.32 158.84 43.34 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -96.52 101.62 13.27 Favored 'General case' 0 N--CA 1.422 -1.864 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -90.06 134.74 34.07 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 2' ' ' TRP . 81.3 m -115.99 110.37 18.84 Favored 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.867 -178.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 . . . . . 0 C--N 1.3 -1.568 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 175.648 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.2 t90 . . . . . 0 N--CA 1.445 -0.68 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 58.0 m -108.97 125.89 52.52 Favored 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -140.1 162.14 35.95 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -86.01 124.39 32.4 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.515 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 60.0 t -107.77 121.76 61.16 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.17 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 176.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.4 m -109.34 119.2 38.74 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -143.94 118.97 10.02 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.374 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 60.94 27.64 17.48 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.926 0.89 . . . . 0.0 111.767 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.61 -7.26 77.54 Favored Glycine 0 N--CA 1.439 -1.138 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.83 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.7 mt -92.94 112.31 25.99 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -178.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.515 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 74.0 m -107.85 118.4 36.65 Favored 'General case' 0 C--N 1.282 -2.367 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 176.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -132.88 148.32 52.29 Favored 'General case' 0 N--CA 1.429 -1.516 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.095 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -84.13 98.97 10.2 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 62.0 tttp -93.67 134.26 36.17 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.647 -177.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.3 m -109.35 109.79 20.77 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.731 0.777 . . . . 0.0 110.644 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 . . . . . 0 C--N 1.294 -1.818 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 177.154 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 . . . . . 0 N--CA 1.439 -1.0 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 87.6 m -109.37 120.95 44.06 Favored 'General case' 0 C--N 1.284 -2.244 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 177.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -128.81 162.54 27.23 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.184 -176.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -91.28 126.03 36.23 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-O 121.006 0.431 . . . . 0.0 110.236 -177.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 61.0 t -111.38 124.94 68.62 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.817 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.4 m -109.67 119.43 39.37 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-O 121.37 0.605 . . . . 0.0 109.862 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -124.56 107.17 10.76 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.564 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 60.71 27.51 17.25 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.958 0.903 . . . . 0.0 111.344 177.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.16 -16.59 56.93 Favored Glycine 0 N--CA 1.435 -1.382 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.467 -178.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.4 mt -83.35 108.24 15.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.9 m -106.06 115.66 30.6 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 121.252 0.549 . . . . 0.0 110.674 -178.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -123.04 147.13 47.04 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.99 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -85.21 98.15 10.32 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -97.8 142.21 29.85 Favored 'General case' 0 C--N 1.282 -2.361 0 CA-C-N 114.887 -1.052 . . . . 0.0 108.282 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 61.7 m -113.49 141.08 47.55 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 120.304 -0.558 . . . . 0.0 111.997 -176.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 . . . . . 0 C--N 1.308 -1.197 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 177.692 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 10.9 t-105 . . . . . 0 N--CA 1.433 -1.321 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.4 m -109.98 129.56 55.65 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-O 121.047 0.451 . . . . 0.0 110.175 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -133.56 167.45 20.45 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.752 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -101.87 123.69 46.23 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-O 121.026 0.441 . . . . 0.0 110.223 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 75.5 t -108.24 126.9 64.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.4 m -109.77 119.36 39.12 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-O 121.267 0.556 . . . . 0.0 109.671 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -127.56 110.17 12.45 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.629 -178.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 61.04 25.37 15.4 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.158 0.983 . . . . 0.0 112.494 177.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.73 -7.5 59.34 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.681 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.0 mt -94.7 110.48 23.87 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.214 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 79.6 m -104.51 121.14 42.85 Favored 'General case' 0 C--N 1.286 -2.196 0 CA-C-O 121.045 0.45 . . . . 0.0 109.87 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -126.92 152.8 46.64 Favored 'General case' 0 N--CA 1.429 -1.514 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.46 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -89.2 93.91 9.74 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -177.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -91.12 141.0 29.29 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.9 m -123.08 126.79 47.74 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-O 120.765 0.316 . . . . 0.0 110.773 -177.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 . . . . . 0 C--N 1.305 -1.345 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 177.661 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 21.6 t90 . . . . . 0 N--CA 1.437 -1.111 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 71.0 m -108.98 126.59 53.26 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.045 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -143.29 166.53 24.48 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -178.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -93.25 133.88 36.01 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.469 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.5 t -119.79 133.98 64.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 176.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 71.1 m -109.29 119.16 38.64 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 174.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -120.76 111.89 18.16 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.897 -178.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 59.55 28.86 18.36 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.846 0.858 . . . . 0.0 111.061 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.81 -14.47 63.99 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.23 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.3 mt -88.12 106.12 16.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 62.1 m -95.84 128.75 42.99 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-O 120.673 0.273 . . . . 0.0 110.641 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -143.03 155.25 44.6 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -86.44 101.9 13.58 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -92.74 135.01 34.48 Favored 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.7 m -109.86 125.55 52.89 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.79 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 . . . . . 0 N--CA 1.421 -1.91 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 175.329 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.2 t90 . . . . . 0 N--CA 1.439 -0.984 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.4 m -109.05 124.08 50.18 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-O 121.196 0.522 . . . . 0.0 110.164 -177.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -132.0 152.22 51.27 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.856 -177.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -84.54 126.27 33.16 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 39.6 t -113.83 127.02 71.41 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.256 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.0 m -110.25 120.01 41.06 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 176.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -123.08 102.66 8.1 Favored 'General case' 0 N--CA 1.421 -1.898 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.76 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 61.28 32.31 19.31 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.699 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.51 -7.72 63.78 Favored Glycine 0 C--N 1.314 -0.644 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.954 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.2 mt -96.21 101.91 12.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.5 m -96.55 126.06 41.47 Favored 'General case' 0 C--N 1.287 -2.113 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -134.72 152.33 51.68 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -95.01 102.08 13.87 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -89.79 138.09 31.78 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 87.0 m -116.48 115.94 26.74 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.036 0.446 . . . . 0.0 111.897 -178.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 . . . . . 0 C--N 1.302 -1.494 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 173.96 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.8 t-105 . . . . . 0 N--CA 1.433 -1.323 0 CA-C-O 120.719 0.295 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 97.4 m -115.38 129.42 56.58 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 174.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -144.35 169.92 17.0 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -92.85 130.83 38.32 Favored 'General case' 0 N--CA 1.422 -1.836 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.513 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 41.6 t -116.52 116.04 50.97 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.096 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 177.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.9 m -108.96 119.33 39.23 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 175.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -141.49 113.48 7.93 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.995 -177.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 65.95 20.46 11.32 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.275 1.03 . . . . 0.0 111.784 178.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.37 -10.17 59.52 Favored Glycine 0 N--CA 1.436 -1.308 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.394 -178.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.3 mt -89.55 105.52 16.12 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 76.1 m -104.14 124.28 48.79 Favored 'General case' 0 C--N 1.287 -2.139 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 177.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -138.38 156.65 47.4 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 120.758 0.313 . . . . 0.0 110.247 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -90.8 100.81 13.6 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -93.3 131.77 38.12 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.5 m -115.4 132.83 56.5 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.01 177.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 . . . . . 0 C--N 1.303 -1.436 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.109 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 11.0 t-105 . . . . . 0 N--CA 1.437 -1.11 0 CA-C-O 120.746 0.308 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.9 m -115.67 127.01 54.85 Favored 'General case' 0 C--N 1.284 -2.278 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -142.49 165.28 27.84 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -176.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -102.48 124.71 48.53 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.175 -177.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 34.7 t -107.24 134.2 49.67 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.8 m -112.65 119.38 37.9 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.469 0.652 . . . . 0.0 109.696 177.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -129.51 111.21 12.52 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 63.15 24.14 14.25 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.822 0.849 . . . . 0.0 111.216 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.22 -12.06 65.35 Favored Glycine 0 CA--C 1.504 -0.594 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.3 mt -85.76 106.51 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.23 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 79.6 m -101.59 124.79 47.83 Favored 'General case' 0 C--N 1.287 -2.14 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -135.04 146.1 48.64 Favored 'General case' 0 N--CA 1.424 -1.732 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.662 -176.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -84.69 100.16 11.29 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -94.55 137.54 33.55 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.1 m -114.72 133.33 55.98 Favored 'General case' 0 C--N 1.287 -2.118 0 CA-C-O 121.278 0.561 . . . . 0.0 110.713 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 . . . . . 0 C--N 1.295 -1.785 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.316 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 . . . . . 0 N--CA 1.427 -1.611 0 CA-C-O 120.75 0.31 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.9 m -117.6 119.64 35.62 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 175.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -145.19 163.62 33.85 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -177.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -80.0 121.38 25.42 Favored 'General case' 0 N--CA 1.422 -1.844 0 CA-C-O 121.248 0.547 . . . . 0.0 109.625 178.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 96.7 t -109.62 130.04 63.4 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.351 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 94.4 m -109.73 119.04 38.14 Favored 'General case' 0 C--N 1.287 -2.117 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 175.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -126.27 103.23 7.55 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.917 -177.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 62.79 29.37 16.69 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.841 0.856 . . . . 0.0 110.837 177.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.37 -15.82 58.53 Favored Glycine 0 C--N 1.311 -0.809 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.0 mt -85.08 104.21 12.93 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 86.4 m -102.4 121.36 42.16 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 121.163 0.506 . . . . 0.0 109.958 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -142.25 154.84 45.08 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.068 -176.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -84.26 101.98 12.32 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -103.62 136.53 43.15 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.574 -177.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.6 m -108.76 128.25 54.72 Favored 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 . . . . . 0 C--N 1.285 -2.212 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 178.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.1 pttp . . . . . 0 N--CA 1.446 -0.669 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.7 t-105 -100.43 124.39 45.88 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.8 m -108.7 123.77 49.5 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -130.51 149.23 52.28 Favored 'General case' 0 N--CA 1.421 -1.921 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.212 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -82.47 123.5 29.21 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.942 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 45.0 t -111.54 116.78 53.45 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.8 m -109.59 119.13 38.45 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 174.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -130.02 109.44 10.86 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.339 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 63.08 23.89 14.19 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.734 0.814 . . . . 0.0 111.528 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.12 -14.02 60.04 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.852 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.8 mt -86.31 107.31 16.49 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 76.8 m -106.57 127.66 53.51 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.465 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -139.17 146.77 40.98 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 120.813 0.34 . . . . 0.0 111.53 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -82.37 98.77 9.02 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -92.5 127.27 37.94 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.0 m -109.7 111.27 22.63 Favored 'General case' 0 C--N 1.281 -2.381 0 CA-C-O 121.433 0.635 . . . . 0.0 110.33 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -107.46 108.68 20.13 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -177.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.077 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 -175.726 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp . . . . . 0 N--CA 1.44 -0.972 0 CA-C-O 121.203 0.525 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -107.02 122.47 46.51 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.7 m -108.46 125.4 51.74 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -138.02 170.29 16.29 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.022 -176.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -91.38 124.06 35.28 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.923 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 87.0 t -120.71 122.72 68.65 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 177.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 83.5 m -110.75 119.24 38.47 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 177.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -118.04 107.25 13.79 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.382 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 63.1 25.93 15.14 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.977 0.911 . . . . 0.0 110.805 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.18 -11.31 60.23 Favored Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 121.225 -0.512 . . . . 0.0 111.908 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.9 mt -89.44 103.89 14.5 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 60.6 m -95.98 130.31 43.0 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -137.15 159.48 41.77 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.444 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -83.67 102.69 12.41 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.648 177.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -98.49 125.85 43.83 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.0 m -109.91 111.33 22.68 Favored 'General case' 0 C--N 1.282 -2.367 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.782 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -105.26 112.09 25.07 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.66 0 N-CA-C 109.165 -1.574 . . . . 0.0 109.165 -174.591 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.0 pttp . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.984 0.421 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 13.5 t-105 -105.47 138.13 42.17 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 -176.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.9 m -128.33 136.2 50.64 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -146.27 168.62 20.62 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -83.78 118.84 24.18 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 121.161 0.505 . . . . 0.0 111.179 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.4 t -109.78 124.54 66.59 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.2 m -111.38 124.59 52.56 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-O 120.981 0.42 . . . . 0.0 111.127 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -129.73 111.95 13.15 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.029 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 64.7 20.0 12.0 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.053 0.941 . . . . 0.0 111.646 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.18 -16.41 58.2 Favored Glycine 0 C--N 1.308 -0.996 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.1 mt -80.46 104.75 9.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.2 m -103.94 125.28 50.21 Favored 'General case' 0 C--N 1.286 -2.153 0 CA-C-O 121.273 0.559 . . . . 0.0 110.439 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -133.25 151.97 51.93 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -86.09 102.29 13.72 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -92.24 138.63 31.37 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.1 m -109.78 135.3 50.9 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-O 120.956 0.408 . . . . 0.0 110.809 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -121.78 105.39 10.34 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.236 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -177.632 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 7.7 t-105 -96.1 122.73 39.26 Favored 'General case' 0 N--CA 1.434 -1.234 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.274 -173.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 99.9 m -109.88 126.98 54.42 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 175.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -136.89 170.16 16.56 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -100.63 129.64 46.58 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -177.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.4 t -118.66 130.42 73.52 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.8 m -109.66 119.48 39.52 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -120.71 104.77 10.17 Favored 'General case' 0 N--CA 1.423 -1.816 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.702 -178.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 60.96 30.59 19.71 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.252 1.021 . . . . 0.0 111.321 176.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.44 -9.98 59.31 Favored Glycine 0 C--O 1.241 0.564 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.433 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.5 mt -95.51 108.53 21.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.5 m -98.88 129.31 45.23 Favored 'General case' 0 C--N 1.288 -2.08 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -139.24 163.57 32.1 Favored 'General case' 0 N--CA 1.42 -1.966 0 CA-C-O 121.071 0.462 . . . . 0.0 110.326 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -86.49 105.44 16.8 Favored 'General case' 0 C--N 1.288 -2.085 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.239 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -98.9 128.85 45.19 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 175.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.9 m -110.45 123.97 50.9 Favored 'General case' 0 C--N 1.282 -2.328 0 CA-C-O 121.187 0.517 . . . . 0.0 110.34 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -109.19 90.72 3.38 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 106.754 -1.572 . . . . 0.0 106.754 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.589 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -176.704 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 61.7 pttt . . . . . 0 N--CA 1.448 -0.534 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 6.6 t-105 -103.29 127.78 50.52 Favored 'General case' 0 N--CA 1.422 -1.828 0 C-N-CA 120.318 -0.553 . . . . 0.0 109.551 -173.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.8 m -109.85 128.23 55.2 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.965 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -132.91 160.58 36.59 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.273 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -92.52 126.71 37.73 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.129 0.49 . . . . 0.0 110.245 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.1 t -115.92 123.14 70.9 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 175.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.0 m -109.63 120.62 43.04 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-O 121.123 0.487 . . . . 0.0 109.774 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -124.59 110.44 14.44 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 63.63 25.74 14.39 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.491 0.716 . . . . 0.0 111.698 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.16 -13.38 67.47 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.431 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.4 mt -84.33 100.63 7.9 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.2 m -97.36 124.51 41.54 Favored 'General case' 0 C--N 1.291 -1.967 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.007 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -128.18 148.57 50.61 Favored 'General case' 0 N--CA 1.412 -2.341 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -89.27 100.28 13.09 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -87.46 133.99 33.67 Favored 'General case' 0 C--N 1.289 -2.04 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.379 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.8 m -116.81 136.06 53.26 Favored 'General case' 0 C--N 1.281 -2.41 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -130.9 115.0 15.96 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.984 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 -178.926 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 94.6 mttt . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.985 0.422 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -103.2 119.5 38.99 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 -176.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 65.5 m -109.34 136.86 48.1 Favored 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 120.775 0.322 . . . . 0.0 110.611 -179.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -148.22 154.1 39.64 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.003 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -82.3 123.44 29.06 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 121.043 0.449 . . . . 0.0 111.38 -177.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 45.4 t -114.35 126.38 71.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.5 m -110.2 118.79 37.31 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 121.242 0.544 . . . . 0.0 109.585 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -132.96 109.94 9.92 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.037 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 62.21 26.0 15.58 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.106 0.563 . . . . 0.0 112.072 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.76 -15.36 59.71 Favored Glycine 0 N--CA 1.442 -0.93 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.1 mt -84.81 102.02 10.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 71.1 m -102.96 112.68 25.62 Favored 'General case' 0 C--N 1.289 -2.06 0 CA-C-O 121.202 0.525 . . . . 0.0 109.755 178.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -128.4 154.4 46.06 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -93.22 99.31 11.9 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -82.04 135.82 35.3 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.246 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.8 m -109.47 117.76 34.86 Favored 'General case' 0 C--N 1.279 -2.474 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.769 177.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -103.2 102.0 11.97 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 177.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.964 0 N-CA-C 109.229 -1.548 . . . . 0.0 109.229 -174.275 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.5 pttp . . . . . 0 N--CA 1.442 -0.872 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -83.64 113.39 20.81 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.2 m -109.1 129.01 55.47 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 177.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.411 ' CE1' HG21 ' A' ' 6' ' ' VAL . 6.0 p90 -148.68 164.42 34.39 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -80.04 123.36 27.77 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.373 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.504 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 37.3 t -116.67 121.36 67.5 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.172 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.2 m -109.95 118.99 37.91 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -126.76 113.96 17.33 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -177.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 64.69 19.89 11.96 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.425 0.69 . . . . 0.0 110.524 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.02 -9.37 75.34 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 -176.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.2 mt -86.39 110.02 19.54 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 60.5 m -101.42 130.88 47.73 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-O 121.065 0.459 . . . . 0.0 110.031 -177.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -141.52 150.36 42.06 Favored 'General case' 0 N--CA 1.422 -1.839 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 -86.99 103.69 15.58 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -96.25 130.89 43.22 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.5 m -109.23 109.05 19.88 Favored 'General case' 0 N--CA 1.417 -2.096 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 175.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -104.6 104.45 14.28 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.272 0 N-CA-C 107.927 -2.069 . . . . 0.0 107.927 -172.255 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.6 pttm . . . . . 0 N--CA 1.448 -0.572 0 CA-C-O 121.62 0.724 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -115.11 130.73 57.0 Favored 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.1 m -115.9 135.77 53.68 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -147.29 164.07 34.4 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.373 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 -81.24 127.26 32.5 Favored 'General case' 0 N--CA 1.426 -1.625 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.963 -177.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.6 t -121.6 127.17 75.53 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.061 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 176.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.1 m -112.61 128.9 56.5 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.315 0.578 . . . . 0.0 111.383 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -122.01 102.86 8.43 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.916 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 55.78 35.65 25.76 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.426 0.69 . . . . 0.0 111.967 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.41 -21.6 43.55 Favored Glycine 0 C--N 1.314 -0.659 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.346 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.9 mt -79.78 99.86 3.94 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.5 m -102.15 131.57 48.58 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.054 0.454 . . . . 0.0 110.198 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -138.81 160.34 39.92 Favored 'General case' 0 N--CA 1.421 -1.913 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.187 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -84.49 104.65 14.68 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 175.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -100.9 131.95 46.53 Favored 'General case' 0 C--N 1.286 -2.16 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 177.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.0 m -109.66 131.03 55.44 Favored 'General case' 0 C--N 1.286 -2.167 0 CA-C-O 121.632 0.729 . . . . 0.0 109.901 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -119.87 107.07 12.7 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.554 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.363 -179.544 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.3 pttp . . . . . 0 C--O 1.242 0.678 0 CA-C-O 121.059 0.457 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -105.65 119.71 39.82 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 78.4 m -109.95 128.18 55.22 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -134.96 160.55 37.93 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.81 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -87.12 123.03 31.73 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 120.632 0.254 . . . . 0.0 110.855 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 77.2 t -116.48 129.22 73.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 176.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.5 m -109.78 119.62 39.94 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.288 0.566 . . . . 0.0 109.894 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -131.91 109.46 10.1 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.153 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 63.14 28.46 16.0 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.916 0.886 . . . . 0.0 111.569 177.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.82 -19.44 53.33 Favored Glycine 0 C--O 1.244 0.769 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.3 mt -82.89 103.73 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.146 0 C-N-CA 123.615 0.766 . . . . 0.0 108.956 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 81.3 m -99.33 115.36 29.02 Favored 'General case' 0 C--N 1.281 -2.402 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 175.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -121.29 169.67 10.35 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.743 -176.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -92.17 99.16 12.01 Favored 'General case' 0 N--CA 1.426 -1.67 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 23.0 tptm -84.84 119.54 25.44 Favored 'General case' 0 C--N 1.289 -2.04 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.6 m -111.68 109.79 19.85 Favored 'General case' 0 C--N 1.277 -2.574 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.891 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -105.2 101.08 10.65 Favored 'General case' 0 N--CA 1.423 -1.818 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.193 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.07 -177.751 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 67.1 mttm . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -113.77 126.31 55.07 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -176.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 77.3 m -108.44 123.53 49.0 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 177.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -141.77 170.4 15.78 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.005 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -88.23 127.02 35.45 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 81.8 t -110.44 120.67 61.8 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.245 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 175.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.9 m -109.23 119.48 39.62 Favored 'General case' 0 N--CA 1.421 -1.91 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -125.18 105.26 9.01 Favored 'General case' 0 C--N 1.277 -2.566 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.654 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 64.51 23.51 12.92 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.095 0.958 . . . . 0.0 111.468 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.93 -11.1 58.92 Favored Glycine 0 N--CA 1.441 -1.011 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.113 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.1 mt -86.6 105.63 15.02 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 76.7 m -110.05 119.16 38.42 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-O 120.98 0.419 . . . . 0.0 111.258 -175.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -131.37 160.4 35.16 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -91.85 95.14 9.67 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -99.14 137.14 38.09 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.25 0.548 . . . . 0.0 110.047 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.8 m -109.25 122.16 46.72 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.727 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -116.24 117.87 31.21 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -0.829 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 -177.668 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.4 pttm . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 121.084 0.469 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -83.21 112.95 20.32 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.1 m -109.34 137.25 47.49 Favored 'General case' 0 C--N 1.283 -2.287 0 CA-C-O 121.177 0.513 . . . . 0.0 109.897 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -145.69 157.69 43.93 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.222 -175.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -96.04 125.44 40.58 Favored 'General case' 0 C--N 1.284 -2.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.938 -177.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 58.7 t -111.36 132.09 60.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 177.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.4 m -109.27 128.85 55.4 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-O 121.322 0.582 . . . . 0.0 110.156 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -139.06 107.39 5.8 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.005 179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 65.5 23.74 11.86 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.468 1.107 . . . . 0.0 111.705 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.33 -11.76 60.02 Favored Glycine 0 C--N 1.306 -1.1 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 -178.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.2 mt -88.68 99.71 9.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.289 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.2 m -97.05 115.85 28.2 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 176.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -121.49 160.9 23.25 Favored 'General case' 0 N--CA 1.418 -2.038 0 CA-C-O 120.87 0.367 . . . . 0.0 110.446 -175.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -91.52 99.72 12.6 Favored 'General case' 0 N--CA 1.417 -2.087 0 CA-C-N 115.143 -0.935 . . . . 0.0 108.678 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -96.26 138.78 33.36 Favored 'General case' 0 C--N 1.285 -2.205 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.0 m -119.78 131.5 55.35 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-O 121.54 0.686 . . . . 0.0 111.037 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -109.79 91.33 3.6 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 105.609 -1.997 . . . . 0.0 105.609 176.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.602 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 -172.441 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 N--CA 1.449 -0.491 0 CA-C-O 121.068 0.461 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.431 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 3.3 t90 -95.04 116.07 28.23 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.4 m -109.94 119.91 40.8 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 120.939 0.4 . . . . 0.0 110.744 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -129.63 158.92 37.99 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.373 -176.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -88.07 125.41 34.55 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.761 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.497 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 40.7 t -115.9 123.02 70.76 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.6 m -113.18 125.87 54.81 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -136.52 105.77 6.03 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 62.39 26.82 16.01 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.167 0.987 . . . . 0.0 111.106 178.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.27 -12.89 60.24 Favored Glycine 0 N--CA 1.44 -1.099 0 C-N-CA 120.395 -0.907 . . . . 0.0 111.941 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.0 mt -85.5 99.51 7.54 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.8 m -101.69 125.94 48.45 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 176.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -135.32 158.84 43.34 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -96.52 101.62 13.27 Favored 'General case' 0 N--CA 1.422 -1.864 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -90.06 134.74 34.07 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 2' ' ' TRP . 81.3 m -115.99 110.37 18.84 Favored 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.867 -178.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -91.17 105.25 17.67 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 175.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.55 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 -176.171 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.6 pttm . . . . . 0 N--CA 1.441 -0.914 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -86.19 110.4 19.56 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -178.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 58.0 m -108.97 125.89 52.52 Favored 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -140.1 162.14 35.95 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -86.01 124.39 32.4 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.515 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 60.0 t -107.77 121.76 61.16 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.17 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 176.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.4 m -109.34 119.2 38.74 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -143.94 118.97 10.02 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.374 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 60.94 27.64 17.48 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.926 0.89 . . . . 0.0 111.767 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.61 -7.26 77.54 Favored Glycine 0 N--CA 1.439 -1.138 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.83 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.7 mt -92.94 112.31 25.99 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -178.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.515 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 74.0 m -107.85 118.4 36.65 Favored 'General case' 0 C--N 1.282 -2.367 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 176.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -132.88 148.32 52.29 Favored 'General case' 0 N--CA 1.429 -1.516 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.095 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -84.13 98.97 10.2 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 62.0 tttp -93.67 134.26 36.17 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.647 -177.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.3 m -109.35 109.79 20.77 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.731 0.777 . . . . 0.0 110.644 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -96.11 91.17 5.81 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.906 0 N-CA-C 109.004 -1.638 . . . . 0.0 109.004 -174.956 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp . . . . . 0 N--CA 1.434 -1.261 0 CA-C-O 120.322 0.106 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -87.97 123.26 32.51 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -175.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 87.6 m -109.37 120.95 44.06 Favored 'General case' 0 C--N 1.284 -2.244 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 177.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -128.81 162.54 27.23 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.184 -176.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -91.28 126.03 36.23 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-O 121.006 0.431 . . . . 0.0 110.236 -177.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 61.0 t -111.38 124.94 68.62 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.817 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.4 m -109.67 119.43 39.37 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-O 121.37 0.605 . . . . 0.0 109.862 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -124.56 107.17 10.76 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.564 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 60.71 27.51 17.25 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.958 0.903 . . . . 0.0 111.344 177.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.16 -16.59 56.93 Favored Glycine 0 N--CA 1.435 -1.382 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.467 -178.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.4 mt -83.35 108.24 15.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.9 m -106.06 115.66 30.6 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 121.252 0.549 . . . . 0.0 110.674 -178.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -123.04 147.13 47.04 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.99 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -85.21 98.15 10.32 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -97.8 142.21 29.85 Favored 'General case' 0 C--N 1.282 -2.361 0 CA-C-N 114.887 -1.052 . . . . 0.0 108.282 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 61.7 m -113.49 141.08 47.55 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 120.304 -0.558 . . . . 0.0 111.997 -176.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -125.0 107.44 10.82 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 177.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.252 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 -175.364 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? . . . . . 0 C--O 1.241 0.608 0 CA-C-O 120.815 0.34 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 10.9 t-105 -108.82 126.96 53.6 Favored 'General case' 0 N--CA 1.433 -1.321 0 C-N-CA 119.778 -0.769 . . . . 0.0 109.594 -178.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.4 m -109.98 129.56 55.65 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-O 121.047 0.451 . . . . 0.0 110.175 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -133.56 167.45 20.45 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.752 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -101.87 123.69 46.23 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-O 121.026 0.441 . . . . 0.0 110.223 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 75.5 t -108.24 126.9 64.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.4 m -109.77 119.36 39.12 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-O 121.267 0.556 . . . . 0.0 109.671 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -127.56 110.17 12.45 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.629 -178.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 61.04 25.37 15.4 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.158 0.983 . . . . 0.0 112.494 177.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.73 -7.5 59.34 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.681 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.0 mt -94.7 110.48 23.87 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.214 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 79.6 m -104.51 121.14 42.85 Favored 'General case' 0 C--N 1.286 -2.196 0 CA-C-O 121.045 0.45 . . . . 0.0 109.87 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -126.92 152.8 46.64 Favored 'General case' 0 N--CA 1.429 -1.514 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.46 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -89.2 93.91 9.74 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -177.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -91.12 141.0 29.29 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.9 m -123.08 126.79 47.74 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-O 120.765 0.316 . . . . 0.0 110.773 -177.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -110.76 101.0 9.65 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.283 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.544 -179.304 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt . . . . . 0 CA--C 1.534 0.347 0 CA-C-O 121.206 0.527 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -116.78 111.62 20.0 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.284 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 71.0 m -108.98 126.59 53.26 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.045 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -143.29 166.53 24.48 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -178.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -93.25 133.88 36.01 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.469 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.5 t -119.79 133.98 64.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 176.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 71.1 m -109.29 119.16 38.64 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 174.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -120.76 111.89 18.16 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.897 -178.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 59.55 28.86 18.36 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.846 0.858 . . . . 0.0 111.061 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.81 -14.47 63.99 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.23 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.3 mt -88.12 106.12 16.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 62.1 m -95.84 128.75 42.99 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-O 120.673 0.273 . . . . 0.0 110.641 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -143.03 155.25 44.6 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -86.44 101.9 13.58 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -92.74 135.01 34.48 Favored 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.7 m -109.86 125.55 52.89 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.79 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -110.14 89.47 3.03 Favored 'General case' 0 N--CA 1.421 -1.91 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 175.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.815 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.006 -176.782 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.7 pttm . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 121.117 0.484 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -91.2 105.84 18.09 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.4 m -109.05 124.08 50.18 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-O 121.196 0.522 . . . . 0.0 110.164 -177.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -132.0 152.22 51.27 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.856 -177.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -84.54 126.27 33.16 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 39.6 t -113.83 127.02 71.41 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.256 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.0 m -110.25 120.01 41.06 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 176.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -123.08 102.66 8.1 Favored 'General case' 0 N--CA 1.421 -1.898 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.76 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 61.28 32.31 19.31 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.699 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.51 -7.72 63.78 Favored Glycine 0 C--N 1.314 -0.644 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.954 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.2 mt -96.21 101.91 12.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.5 m -96.55 126.06 41.47 Favored 'General case' 0 C--N 1.287 -2.113 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -134.72 152.33 51.68 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -95.01 102.08 13.87 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -89.79 138.09 31.78 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 87.0 m -116.48 115.94 26.74 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.036 0.446 . . . . 0.0 111.897 -178.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -94.15 94.63 8.48 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 173.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.89 0 N-CA-C 108.62 -1.792 . . . . 0.0 108.62 -172.653 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 94.4 mttt . . . . . 0 N--CA 1.448 -0.568 0 CA-C-O 120.906 0.384 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.8 t-105 -102.71 121.27 42.09 Favored 'General case' 0 N--CA 1.433 -1.323 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.655 -173.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 97.4 m -115.38 129.42 56.58 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 174.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -144.35 169.92 17.0 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -92.85 130.83 38.32 Favored 'General case' 0 N--CA 1.422 -1.836 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.513 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 41.6 t -116.52 116.04 50.97 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.096 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 177.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.9 m -108.96 119.33 39.23 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 175.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -141.49 113.48 7.93 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.995 -177.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 65.95 20.46 11.32 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.275 1.03 . . . . 0.0 111.784 178.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.37 -10.17 59.52 Favored Glycine 0 N--CA 1.436 -1.308 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.394 -178.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.3 mt -89.55 105.52 16.12 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 76.1 m -104.14 124.28 48.79 Favored 'General case' 0 C--N 1.287 -2.139 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 177.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -138.38 156.65 47.4 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 120.758 0.313 . . . . 0.0 110.247 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -90.8 100.81 13.6 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -93.3 131.77 38.12 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.5 m -115.4 132.83 56.5 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.01 177.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -129.5 92.51 3.36 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.126 0 C-N-CA 121.466 -0.397 . . . . 0.0 112.408 178.112 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp . . . . . 0 N--CA 1.442 -0.841 0 CA-C-O 120.652 0.263 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 11.0 t-105 -93.21 125.82 38.01 Favored 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.172 -174.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.9 m -115.67 127.01 54.85 Favored 'General case' 0 C--N 1.284 -2.278 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -142.49 165.28 27.84 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -176.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -102.48 124.71 48.53 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.175 -177.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 34.7 t -107.24 134.2 49.67 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.8 m -112.65 119.38 37.9 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.469 0.652 . . . . 0.0 109.696 177.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -129.51 111.21 12.52 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 63.15 24.14 14.25 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.822 0.849 . . . . 0.0 111.216 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.22 -12.06 65.35 Favored Glycine 0 CA--C 1.504 -0.594 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.3 mt -85.76 106.51 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.23 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 79.6 m -101.59 124.79 47.83 Favored 'General case' 0 C--N 1.287 -2.14 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -135.04 146.1 48.64 Favored 'General case' 0 N--CA 1.424 -1.732 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.662 -176.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -84.69 100.16 11.29 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -94.55 137.54 33.55 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.1 m -114.72 133.33 55.98 Favored 'General case' 0 C--N 1.287 -2.118 0 CA-C-O 121.278 0.561 . . . . 0.0 110.713 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -121.08 100.87 7.31 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.516 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -178.505 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 66.1 mttm . . . . . 0 N--CA 1.435 -1.191 0 N-CA-C 111.482 0.179 . . . . 0.0 111.482 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -112.8 132.75 55.12 Favored 'General case' 0 N--CA 1.427 -1.611 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.167 -173.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.9 m -117.6 119.64 35.62 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 175.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -145.19 163.62 33.85 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -177.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -80.0 121.38 25.42 Favored 'General case' 0 N--CA 1.422 -1.844 0 CA-C-O 121.248 0.547 . . . . 0.0 109.625 178.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 96.7 t -109.62 130.04 63.4 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.351 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 94.4 m -109.73 119.04 38.14 Favored 'General case' 0 C--N 1.287 -2.117 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 175.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -126.27 103.23 7.55 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.917 -177.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 62.79 29.37 16.69 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.841 0.856 . . . . 0.0 110.837 177.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.37 -15.82 58.53 Favored Glycine 0 C--N 1.311 -0.809 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.0 mt -85.08 104.21 12.93 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 86.4 m -102.4 121.36 42.16 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 121.163 0.506 . . . . 0.0 109.958 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -142.25 154.84 45.08 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.068 -176.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -84.26 101.98 12.32 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -103.62 136.53 43.15 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.574 -177.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.6 m -108.76 128.25 54.72 Favored 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -127.88 101.66 6.43 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.732 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.3 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.7 t-105 . . . . . 0 N--CA 1.442 -0.834 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 70.8 m -108.7 123.77 49.5 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -130.51 149.23 52.28 Favored 'General case' 0 N--CA 1.421 -1.921 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.212 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -82.47 123.5 29.21 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.942 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 45.0 t -111.54 116.78 53.45 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.8 m -109.59 119.13 38.45 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 174.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -130.02 109.44 10.86 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.339 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 63.08 23.89 14.19 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.734 0.814 . . . . 0.0 111.528 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.12 -14.02 60.04 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.852 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.8 mt -86.31 107.31 16.49 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 76.8 m -106.57 127.66 53.51 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.465 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -139.17 146.77 40.98 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 120.813 0.34 . . . . 0.0 111.53 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -82.37 98.77 9.02 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -92.5 127.27 37.94 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 78.0 m -109.7 111.27 22.63 Favored 'General case' 0 C--N 1.281 -2.381 0 CA-C-O 121.433 0.635 . . . . 0.0 110.33 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 . . . . . 0 C--N 1.31 -1.137 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -177.83 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 . . . . . 0 N--CA 1.44 -0.953 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.7 m -108.46 125.4 51.74 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -138.02 170.29 16.29 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.022 -176.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -91.38 124.06 35.28 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.923 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 87.0 t -120.71 122.72 68.65 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 177.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 83.5 m -110.75 119.24 38.47 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 177.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -118.04 107.25 13.79 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.382 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 63.1 25.93 15.14 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.977 0.911 . . . . 0.0 110.805 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.18 -11.31 60.23 Favored Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 121.225 -0.512 . . . . 0.0 111.908 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.9 mt -89.44 103.89 14.5 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 60.6 m -95.98 130.31 43.0 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -137.15 159.48 41.77 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.444 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -83.67 102.69 12.41 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.648 177.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -98.49 125.85 43.83 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.0 m -109.91 111.33 22.68 Favored 'General case' 0 C--N 1.282 -2.367 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.782 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 . . . . . 0 C--N 1.297 -1.697 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 -178.174 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 13.5 t-105 . . . . . 0 N--CA 1.447 -0.613 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.9 m -128.33 136.2 50.64 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -146.27 168.62 20.62 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -83.78 118.84 24.18 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 121.161 0.505 . . . . 0.0 111.179 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.4 t -109.78 124.54 66.59 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.2 m -111.38 124.59 52.56 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-O 120.981 0.42 . . . . 0.0 111.127 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -129.73 111.95 13.15 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.029 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 64.7 20.0 12.0 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.053 0.941 . . . . 0.0 111.646 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.18 -16.41 58.2 Favored Glycine 0 C--N 1.308 -0.996 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.1 mt -80.46 104.75 9.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.2 m -103.94 125.28 50.21 Favored 'General case' 0 C--N 1.286 -2.153 0 CA-C-O 121.273 0.559 . . . . 0.0 110.439 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -133.25 151.97 51.93 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -86.09 102.29 13.72 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -92.24 138.63 31.37 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.1 m -109.78 135.3 50.9 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-O 120.956 0.408 . . . . 0.0 110.809 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 . . . . . 0 C--N 1.309 -1.161 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 177.402 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 7.7 t-105 . . . . . 0 N--CA 1.434 -1.234 0 CA-C-O 120.791 0.329 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 99.9 m -109.88 126.98 54.42 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 175.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -136.89 170.16 16.56 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -100.63 129.64 46.58 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -177.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.4 t -118.66 130.42 73.52 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 74.8 m -109.66 119.48 39.52 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 175.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -120.71 104.77 10.17 Favored 'General case' 0 N--CA 1.423 -1.816 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.702 -178.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 60.96 30.59 19.71 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.252 1.021 . . . . 0.0 111.321 176.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.44 -9.98 59.31 Favored Glycine 0 C--O 1.241 0.564 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.433 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.5 mt -95.51 108.53 21.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 69.5 m -98.88 129.31 45.23 Favored 'General case' 0 C--N 1.288 -2.08 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -139.24 163.57 32.1 Favored 'General case' 0 N--CA 1.42 -1.966 0 CA-C-O 121.071 0.462 . . . . 0.0 110.326 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -86.49 105.44 16.8 Favored 'General case' 0 C--N 1.288 -2.085 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.239 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -98.9 128.85 45.19 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 175.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.9 m -110.45 123.97 50.9 Favored 'General case' 0 C--N 1.282 -2.328 0 CA-C-O 121.187 0.517 . . . . 0.0 110.34 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 . . . . . 0 C--N 1.298 -1.654 0 N-CA-C 106.754 -1.572 . . . . 0.0 106.754 177.487 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 6.6 t-105 . . . . . 0 N--CA 1.422 -1.828 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.8 m -109.85 128.23 55.2 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.965 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -132.91 160.58 36.59 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.273 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -92.52 126.71 37.73 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.129 0.49 . . . . 0.0 110.245 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.1 t -115.92 123.14 70.9 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 175.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.0 m -109.63 120.62 43.04 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-O 121.123 0.487 . . . . 0.0 109.774 178.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -124.59 110.44 14.44 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 63.63 25.74 14.39 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.491 0.716 . . . . 0.0 111.698 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.16 -13.38 67.47 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.431 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.4 mt -84.33 100.63 7.9 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 75.2 m -97.36 124.51 41.54 Favored 'General case' 0 C--N 1.291 -1.967 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.007 -178.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -128.18 148.57 50.61 Favored 'General case' 0 N--CA 1.412 -2.341 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -89.27 100.28 13.09 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -87.46 133.99 33.67 Favored 'General case' 0 C--N 1.289 -2.04 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.379 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.8 m -116.81 136.06 53.26 Favored 'General case' 0 C--N 1.281 -2.41 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 . . . . . 0 C--N 1.302 -1.489 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 178.116 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 . . . . . 0 N--CA 1.44 -0.968 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 65.5 m -109.34 136.86 48.1 Favored 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 120.775 0.322 . . . . 0.0 110.611 -179.168 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -148.22 154.1 39.64 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.003 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -82.3 123.44 29.06 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 121.043 0.449 . . . . 0.0 111.38 -177.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 45.4 t -114.35 126.38 71.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.5 m -110.2 118.79 37.31 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 121.242 0.544 . . . . 0.0 109.585 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -132.96 109.94 9.92 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.037 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 62.21 26.0 15.58 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.106 0.563 . . . . 0.0 112.072 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.76 -15.36 59.71 Favored Glycine 0 N--CA 1.442 -0.93 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.1 mt -84.81 102.02 10.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 71.1 m -102.96 112.68 25.62 Favored 'General case' 0 C--N 1.289 -2.06 0 CA-C-O 121.202 0.525 . . . . 0.0 109.755 178.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -128.4 154.4 46.06 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.411 ' HG2' ' HB3' ' A' ' 3' ' ' CYS . 42.0 ttm180 -93.22 99.31 11.9 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -82.04 135.82 35.3 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.246 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.8 m -109.47 117.76 34.86 Favored 'General case' 0 C--N 1.279 -2.474 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.769 177.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 . . . . . 0 C--N 1.298 -1.648 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 177.673 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 . . . . . 0 N--CA 1.445 -0.676 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.2 m -109.1 129.01 55.47 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 177.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.42 ' CE1' HG22 ' A' ' 6' ' ' VAL . 6.0 p90 -148.68 164.42 34.39 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -80.04 123.36 27.77 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.373 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.517 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 37.3 t -116.67 121.36 67.5 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.172 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.2 m -109.95 118.99 37.91 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -126.76 113.96 17.33 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -177.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 64.69 19.89 11.96 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.425 0.69 . . . . 0.0 110.524 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.02 -9.37 75.34 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 -176.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.2 mt -86.39 110.02 19.54 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 60.5 m -101.42 130.88 47.73 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-O 121.065 0.459 . . . . 0.0 110.031 -177.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -141.52 150.36 42.06 Favored 'General case' 0 N--CA 1.422 -1.839 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 -86.99 103.69 15.58 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -96.25 130.89 43.22 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.5 m -109.23 109.05 19.88 Favored 'General case' 0 N--CA 1.417 -2.096 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 175.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 . . . . . 0 C--N 1.294 -1.826 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 -178.113 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 . . . . . 0 N--CA 1.437 -1.089 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.1 m -115.9 135.77 53.68 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -147.29 164.07 34.4 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.373 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 -81.24 127.26 32.5 Favored 'General case' 0 N--CA 1.426 -1.625 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.963 -177.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.6 t -121.6 127.17 75.53 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.061 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 176.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.1 m -112.61 128.9 56.5 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.315 0.578 . . . . 0.0 111.383 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -122.01 102.86 8.43 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.916 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 55.78 35.65 25.76 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.426 0.69 . . . . 0.0 111.967 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.41 -21.6 43.55 Favored Glycine 0 C--N 1.314 -0.659 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.346 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.9 mt -79.78 99.86 3.94 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.5 m -102.15 131.57 48.58 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.054 0.454 . . . . 0.0 110.198 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -138.81 160.34 39.92 Favored 'General case' 0 N--CA 1.421 -1.913 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.187 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -84.49 104.65 14.68 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 175.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -100.9 131.95 46.53 Favored 'General case' 0 C--N 1.286 -2.16 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 177.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.0 m -109.66 131.03 55.44 Favored 'General case' 0 C--N 1.286 -2.167 0 CA-C-O 121.632 0.729 . . . . 0.0 109.901 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? . . . . . 0 C--N 1.293 -1.89 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.442 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 . . . . . 0 N--CA 1.438 -1.033 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 78.4 m -109.95 128.18 55.22 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -134.96 160.55 37.93 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.81 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -87.12 123.03 31.73 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 120.632 0.254 . . . . 0.0 110.855 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 77.2 t -116.48 129.22 73.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 176.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.5 m -109.78 119.62 39.94 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.288 0.566 . . . . 0.0 109.894 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -131.91 109.46 10.1 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.153 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 63.14 28.46 16.0 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.916 0.886 . . . . 0.0 111.569 177.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.82 -19.44 53.33 Favored Glycine 0 C--O 1.244 0.769 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.3 mt -82.89 103.73 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.146 0 C-N-CA 123.615 0.766 . . . . 0.0 108.956 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 81.3 m -99.33 115.36 29.02 Favored 'General case' 0 C--N 1.281 -2.402 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 175.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -121.29 169.67 10.35 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.743 -176.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -92.17 99.16 12.01 Favored 'General case' 0 N--CA 1.426 -1.67 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 23.0 tptm -84.84 119.54 25.44 Favored 'General case' 0 C--N 1.289 -2.04 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.371 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.6 m -111.68 109.79 19.85 Favored 'General case' 0 C--N 1.277 -2.574 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.891 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? . . . . . 0 N--CA 1.423 -1.818 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 178.941 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 . . . . . 0 N--CA 1.44 -0.974 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 77.3 m -108.44 123.53 49.0 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 177.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -141.77 170.4 15.78 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.005 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -88.23 127.02 35.45 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 81.8 t -110.44 120.67 61.8 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.245 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 175.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.9 m -109.23 119.48 39.62 Favored 'General case' 0 N--CA 1.421 -1.91 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -125.18 105.26 9.01 Favored 'General case' 0 C--N 1.277 -2.566 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.654 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 64.51 23.51 12.92 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.095 0.958 . . . . 0.0 111.468 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.93 -11.1 58.92 Favored Glycine 0 N--CA 1.441 -1.011 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.113 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.1 mt -86.6 105.63 15.02 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 76.7 m -110.05 119.16 38.42 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-O 120.98 0.419 . . . . 0.0 111.258 -175.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -131.37 160.4 35.16 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -91.85 95.14 9.67 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -99.14 137.14 38.09 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.25 0.548 . . . . 0.0 110.047 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.8 m -109.25 122.16 46.72 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.727 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? . . . . . 0 C--N 1.296 -1.74 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 -178.587 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 . . . . . 0 N--CA 1.447 -0.593 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.1 m -109.34 137.25 47.49 Favored 'General case' 0 C--N 1.283 -2.287 0 CA-C-O 121.177 0.513 . . . . 0.0 109.897 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -145.69 157.69 43.93 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.222 -175.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -96.04 125.44 40.58 Favored 'General case' 0 C--N 1.284 -2.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.938 -177.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 58.7 t -111.36 132.09 60.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 177.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.4 m -109.27 128.85 55.4 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-O 121.322 0.582 . . . . 0.0 110.156 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -139.06 107.39 5.8 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.005 179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 65.5 23.74 11.86 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.468 1.107 . . . . 0.0 111.705 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.33 -11.76 60.02 Favored Glycine 0 C--N 1.306 -1.1 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 -178.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.2 mt -88.68 99.71 9.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.289 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.2 m -97.05 115.85 28.2 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 176.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -121.49 160.9 23.25 Favored 'General case' 0 N--CA 1.418 -2.038 0 CA-C-O 120.87 0.367 . . . . 0.0 110.446 -175.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -91.52 99.72 12.6 Favored 'General case' 0 N--CA 1.417 -2.087 0 CA-C-N 115.143 -0.935 . . . . 0.0 108.678 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -96.26 138.78 33.36 Favored 'General case' 0 C--N 1.285 -2.205 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.0 m -119.78 131.5 55.35 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-O 121.54 0.686 . . . . 0.0 111.037 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 . . . . . 0 C--N 1.295 -1.765 0 N-CA-C 105.609 -1.997 . . . . 0.0 105.609 176.573 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.437 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 3.3 t90 . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.4 m -109.94 119.91 40.8 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 120.939 0.4 . . . . 0.0 110.744 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -129.63 158.92 37.99 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.373 -176.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -88.07 125.41 34.55 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.761 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.515 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 40.7 t -115.9 123.02 70.76 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.383 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.6 m -113.18 125.87 54.81 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -136.52 105.77 6.03 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 62.39 26.82 16.01 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.167 0.987 . . . . 0.0 111.106 178.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.27 -12.89 60.24 Favored Glycine 0 N--CA 1.44 -1.099 0 C-N-CA 120.395 -0.907 . . . . 0.0 111.941 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.0 mt -85.5 99.51 7.54 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.515 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.8 m -101.69 125.94 48.45 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 176.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -135.32 158.84 43.34 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -96.52 101.62 13.27 Favored 'General case' 0 N--CA 1.422 -1.864 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -90.06 134.74 34.07 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 2' ' ' TRP . 81.3 m -115.99 110.37 18.84 Favored 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.867 -178.393 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 . . . . . 0 C--N 1.3 -1.568 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 175.648 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.2 t90 . . . . . 0 N--CA 1.445 -0.68 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 58.0 m -108.97 125.89 52.52 Favored 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -140.1 162.14 35.95 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -86.01 124.39 32.4 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 60.0 t -107.77 121.76 61.16 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.17 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 176.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.4 m -109.34 119.2 38.74 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -143.94 118.97 10.02 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.374 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 60.94 27.64 17.48 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.926 0.89 . . . . 0.0 111.767 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.61 -7.26 77.54 Favored Glycine 0 N--CA 1.439 -1.138 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.83 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.7 mt -92.94 112.31 25.99 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -178.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 74.0 m -107.85 118.4 36.65 Favored 'General case' 0 C--N 1.282 -2.367 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 176.317 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -132.88 148.32 52.29 Favored 'General case' 0 N--CA 1.429 -1.516 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.095 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -84.13 98.97 10.2 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 62.0 tttp -93.67 134.26 36.17 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.647 -177.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.3 m -109.35 109.79 20.77 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.731 0.777 . . . . 0.0 110.644 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 . . . . . 0 C--N 1.294 -1.818 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 177.154 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 . . . . . 0 N--CA 1.439 -1.0 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 87.6 m -109.37 120.95 44.06 Favored 'General case' 0 C--N 1.284 -2.244 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 177.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -128.81 162.54 27.23 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.184 -176.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -91.28 126.03 36.23 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-O 121.006 0.431 . . . . 0.0 110.236 -177.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 61.0 t -111.38 124.94 68.62 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.817 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.4 m -109.67 119.43 39.37 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-O 121.37 0.605 . . . . 0.0 109.862 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -124.56 107.17 10.76 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.564 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 60.71 27.51 17.25 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.958 0.903 . . . . 0.0 111.344 177.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.16 -16.59 56.93 Favored Glycine 0 N--CA 1.435 -1.382 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.467 -178.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.4 mt -83.35 108.24 15.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.9 m -106.06 115.66 30.6 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 121.252 0.549 . . . . 0.0 110.674 -178.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.411 ' CD1' ' HB2' ' A' ' 15' ' ' LYS . 41.6 p90 -123.04 147.13 47.04 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.99 -178.247 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -85.21 98.15 10.32 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 8.8 tmtm? -97.8 142.21 29.85 Favored 'General case' 0 C--N 1.282 -2.361 0 CA-C-N 114.887 -1.052 . . . . 0.0 108.282 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 61.7 m -113.49 141.08 47.55 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 120.304 -0.558 . . . . 0.0 111.997 -176.184 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 . . . . . 0 C--N 1.308 -1.197 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 177.692 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 10.9 t-105 . . . . . 0 N--CA 1.433 -1.321 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.4 m -109.98 129.56 55.65 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-O 121.047 0.451 . . . . 0.0 110.175 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -133.56 167.45 20.45 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.752 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -101.87 123.69 46.23 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-O 121.026 0.441 . . . . 0.0 110.223 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 75.5 t -108.24 126.9 64.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.4 m -109.77 119.36 39.12 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-O 121.267 0.556 . . . . 0.0 109.671 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -127.56 110.17 12.45 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.629 -178.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 61.04 25.37 15.4 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.158 0.983 . . . . 0.0 112.494 177.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.73 -7.5 59.34 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.681 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.0 mt -94.7 110.48 23.87 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.214 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 79.6 m -104.51 121.14 42.85 Favored 'General case' 0 C--N 1.286 -2.196 0 CA-C-O 121.045 0.45 . . . . 0.0 109.87 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -126.92 152.8 46.64 Favored 'General case' 0 N--CA 1.429 -1.514 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.46 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -89.2 93.91 9.74 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -177.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -91.12 141.0 29.29 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.9 m -123.08 126.79 47.74 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-O 120.765 0.316 . . . . 0.0 110.773 -177.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 . . . . . 0 C--N 1.305 -1.345 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 177.661 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 21.6 t90 . . . . . 0 N--CA 1.437 -1.111 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 71.0 m -108.98 126.59 53.26 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.045 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -143.29 166.53 24.48 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -178.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -93.25 133.88 36.01 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.469 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.5 t -119.79 133.98 64.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 176.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 71.1 m -109.29 119.16 38.64 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 174.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -120.76 111.89 18.16 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.897 -178.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 59.55 28.86 18.36 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.846 0.858 . . . . 0.0 111.061 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.81 -14.47 63.99 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.23 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.3 mt -88.12 106.12 16.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 62.1 m -95.84 128.75 42.99 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-O 120.673 0.273 . . . . 0.0 110.641 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -143.03 155.25 44.6 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -86.44 101.9 13.58 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -92.74 135.01 34.48 Favored 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.7 m -109.86 125.55 52.89 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.79 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 . . . . . 0 N--CA 1.421 -1.91 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 175.329 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.2 t90 . . . . . 0 N--CA 1.439 -0.984 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.4 m -109.05 124.08 50.18 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-O 121.196 0.522 . . . . 0.0 110.164 -177.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -132.0 152.22 51.27 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.856 -177.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -84.54 126.27 33.16 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 39.6 t -113.83 127.02 71.41 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.256 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 73.0 m -110.25 120.01 41.06 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 176.532 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -123.08 102.66 8.1 Favored 'General case' 0 N--CA 1.421 -1.898 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.76 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 61.28 32.31 19.31 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.699 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.51 -7.72 63.78 Favored Glycine 0 C--N 1.314 -0.644 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.954 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.2 mt -96.21 101.91 12.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.5 m -96.55 126.06 41.47 Favored 'General case' 0 C--N 1.287 -2.113 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -134.72 152.33 51.68 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -95.01 102.08 13.87 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -89.79 138.09 31.78 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 87.0 m -116.48 115.94 26.74 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.036 0.446 . . . . 0.0 111.897 -178.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 . . . . . 0 C--N 1.302 -1.494 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 173.96 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.8 t-105 . . . . . 0 N--CA 1.433 -1.323 0 CA-C-O 120.719 0.295 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 97.4 m -115.38 129.42 56.58 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 174.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -144.35 169.92 17.0 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -92.85 130.83 38.32 Favored 'General case' 0 N--CA 1.422 -1.836 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 41.6 t -116.52 116.04 50.97 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.096 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 177.342 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.9 m -108.96 119.33 39.23 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 175.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -141.49 113.48 7.93 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.995 -177.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 65.95 20.46 11.32 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.275 1.03 . . . . 0.0 111.784 178.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.37 -10.17 59.52 Favored Glycine 0 N--CA 1.436 -1.308 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.394 -178.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.3 mt -89.55 105.52 16.12 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 76.1 m -104.14 124.28 48.79 Favored 'General case' 0 C--N 1.287 -2.139 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 177.335 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -138.38 156.65 47.4 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 120.758 0.313 . . . . 0.0 110.247 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -90.8 100.81 13.6 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -93.3 131.77 38.12 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.5 m -115.4 132.83 56.5 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.01 177.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 . . . . . 0 C--N 1.303 -1.436 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.109 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 11.0 t-105 . . . . . 0 N--CA 1.437 -1.11 0 CA-C-O 120.746 0.308 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.9 m -115.67 127.01 54.85 Favored 'General case' 0 C--N 1.284 -2.278 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -142.49 165.28 27.84 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -176.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -102.48 124.71 48.53 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.175 -177.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 34.7 t -107.24 134.2 49.67 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.8 m -112.65 119.38 37.9 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.469 0.652 . . . . 0.0 109.696 177.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -129.51 111.21 12.52 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 63.15 24.14 14.25 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.822 0.849 . . . . 0.0 111.216 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.22 -12.06 65.35 Favored Glycine 0 CA--C 1.504 -0.594 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.3 mt -85.76 106.51 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.23 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 79.6 m -101.59 124.79 47.83 Favored 'General case' 0 C--N 1.287 -2.14 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -135.04 146.1 48.64 Favored 'General case' 0 N--CA 1.424 -1.732 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.662 -176.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -84.69 100.16 11.29 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -94.55 137.54 33.55 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.1 m -114.72 133.33 55.98 Favored 'General case' 0 C--N 1.287 -2.118 0 CA-C-O 121.278 0.561 . . . . 0.0 110.713 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 . . . . . 0 C--N 1.295 -1.785 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.316 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 . . . . . 0 N--CA 1.427 -1.611 0 CA-C-O 120.75 0.31 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 70.9 m -117.6 119.64 35.62 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 175.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -145.19 163.62 33.85 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -177.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -80.0 121.38 25.42 Favored 'General case' 0 N--CA 1.422 -1.844 0 CA-C-O 121.248 0.547 . . . . 0.0 109.625 178.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 96.7 t -109.62 130.04 63.4 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.351 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 94.4 m -109.73 119.04 38.14 Favored 'General case' 0 C--N 1.287 -2.117 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 175.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -126.27 103.23 7.55 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.917 -177.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 62.79 29.37 16.69 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.841 0.856 . . . . 0.0 110.837 177.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.37 -15.82 58.53 Favored Glycine 0 C--N 1.311 -0.809 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.0 mt -85.08 104.21 12.93 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 86.4 m -102.4 121.36 42.16 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 121.163 0.506 . . . . 0.0 109.958 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -142.25 154.84 45.08 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.068 -176.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -84.26 101.98 12.32 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -103.62 136.53 43.15 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.574 -177.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.6 m -108.76 128.25 54.72 Favored 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 . . . . . 0 C--N 1.285 -2.212 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 178.995 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.1 pttp . . . . . 0 N--CA 1.446 -0.669 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.7 t-105 -100.43 124.39 45.88 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 70.8 m -108.7 123.77 49.5 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -130.51 149.23 52.28 Favored 'General case' 0 N--CA 1.421 -1.921 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.212 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -82.47 123.5 29.21 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.942 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 45.0 t -111.54 116.78 53.45 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.8 m -109.59 119.13 38.45 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 174.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -130.02 109.44 10.86 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.339 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 63.08 23.89 14.19 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.734 0.814 . . . . 0.0 111.528 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.12 -14.02 60.04 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.852 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.8 mt -86.31 107.31 16.49 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 76.8 m -106.57 127.66 53.51 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.465 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -139.17 146.77 40.98 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 120.813 0.34 . . . . 0.0 111.53 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -82.37 98.77 9.02 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -92.5 127.27 37.94 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 78.0 m -109.7 111.27 22.63 Favored 'General case' 0 C--N 1.281 -2.381 0 CA-C-O 121.433 0.635 . . . . 0.0 110.33 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -107.46 108.68 20.13 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -177.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.077 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 -175.726 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp . . . . . 0 N--CA 1.44 -0.972 0 CA-C-O 121.203 0.525 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -107.02 122.47 46.51 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.7 m -108.46 125.4 51.74 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -138.02 170.29 16.29 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.022 -176.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -91.38 124.06 35.28 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.923 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 87.0 t -120.71 122.72 68.65 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 177.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 83.5 m -110.75 119.24 38.47 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 177.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -118.04 107.25 13.79 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.382 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 63.1 25.93 15.14 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.977 0.911 . . . . 0.0 110.805 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.18 -11.31 60.23 Favored Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 121.225 -0.512 . . . . 0.0 111.908 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.9 mt -89.44 103.89 14.5 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 60.6 m -95.98 130.31 43.0 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -137.15 159.48 41.77 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.444 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -83.67 102.69 12.41 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.648 177.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -98.49 125.85 43.83 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.0 m -109.91 111.33 22.68 Favored 'General case' 0 C--N 1.282 -2.367 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.782 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -105.26 112.09 25.07 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.66 0 N-CA-C 109.165 -1.574 . . . . 0.0 109.165 -174.591 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.0 pttp . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.984 0.421 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 13.5 t-105 -105.47 138.13 42.17 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 -176.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.9 m -128.33 136.2 50.64 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -146.27 168.62 20.62 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -83.78 118.84 24.18 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 121.161 0.505 . . . . 0.0 111.179 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.4 t -109.78 124.54 66.59 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.2 m -111.38 124.59 52.56 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-O 120.981 0.42 . . . . 0.0 111.127 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -129.73 111.95 13.15 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.029 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 64.7 20.0 12.0 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.053 0.941 . . . . 0.0 111.646 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.18 -16.41 58.2 Favored Glycine 0 C--N 1.308 -0.996 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.1 mt -80.46 104.75 9.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.2 m -103.94 125.28 50.21 Favored 'General case' 0 C--N 1.286 -2.153 0 CA-C-O 121.273 0.559 . . . . 0.0 110.439 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -133.25 151.97 51.93 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -86.09 102.29 13.72 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -92.24 138.63 31.37 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.1 m -109.78 135.3 50.9 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-O 120.956 0.408 . . . . 0.0 110.809 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -121.78 105.39 10.34 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.236 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -177.632 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 7.7 t-105 -96.1 122.73 39.26 Favored 'General case' 0 N--CA 1.434 -1.234 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.274 -173.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 99.9 m -109.88 126.98 54.42 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 175.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -136.89 170.16 16.56 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -100.63 129.64 46.58 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -177.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.4 t -118.66 130.42 73.52 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 74.8 m -109.66 119.48 39.52 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 175.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -120.71 104.77 10.17 Favored 'General case' 0 N--CA 1.423 -1.816 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.702 -178.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 60.96 30.59 19.71 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.252 1.021 . . . . 0.0 111.321 176.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.44 -9.98 59.31 Favored Glycine 0 C--O 1.241 0.564 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.433 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.5 mt -95.51 108.53 21.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 69.5 m -98.88 129.31 45.23 Favored 'General case' 0 C--N 1.288 -2.08 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -139.24 163.57 32.1 Favored 'General case' 0 N--CA 1.42 -1.966 0 CA-C-O 121.071 0.462 . . . . 0.0 110.326 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -86.49 105.44 16.8 Favored 'General case' 0 C--N 1.288 -2.085 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.239 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -98.9 128.85 45.19 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 175.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.9 m -110.45 123.97 50.9 Favored 'General case' 0 C--N 1.282 -2.328 0 CA-C-O 121.187 0.517 . . . . 0.0 110.34 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -109.19 90.72 3.38 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 106.754 -1.572 . . . . 0.0 106.754 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.589 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -176.704 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 61.7 pttt . . . . . 0 N--CA 1.448 -0.534 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 6.6 t-105 -103.29 127.78 50.52 Favored 'General case' 0 N--CA 1.422 -1.828 0 C-N-CA 120.318 -0.553 . . . . 0.0 109.551 -173.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.8 m -109.85 128.23 55.2 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.965 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -132.91 160.58 36.59 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.273 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -92.52 126.71 37.73 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.129 0.49 . . . . 0.0 110.245 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.1 t -115.92 123.14 70.9 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 175.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.0 m -109.63 120.62 43.04 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-O 121.123 0.487 . . . . 0.0 109.774 178.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -124.59 110.44 14.44 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 63.63 25.74 14.39 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.491 0.716 . . . . 0.0 111.698 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.16 -13.38 67.47 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.431 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.4 mt -84.33 100.63 7.9 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 75.2 m -97.36 124.51 41.54 Favored 'General case' 0 C--N 1.291 -1.967 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.007 -178.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -128.18 148.57 50.61 Favored 'General case' 0 N--CA 1.412 -2.341 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -89.27 100.28 13.09 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -87.46 133.99 33.67 Favored 'General case' 0 C--N 1.289 -2.04 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.379 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.8 m -116.81 136.06 53.26 Favored 'General case' 0 C--N 1.281 -2.41 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -130.9 115.0 15.96 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.984 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 -178.926 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 94.6 mttt . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.985 0.422 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -103.2 119.5 38.99 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 -176.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 65.5 m -109.34 136.86 48.1 Favored 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 120.775 0.322 . . . . 0.0 110.611 -179.168 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -148.22 154.1 39.64 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.003 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -82.3 123.44 29.06 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 121.043 0.449 . . . . 0.0 111.38 -177.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 45.4 t -114.35 126.38 71.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.5 m -110.2 118.79 37.31 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 121.242 0.544 . . . . 0.0 109.585 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -132.96 109.94 9.92 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.037 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 62.21 26.0 15.58 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.106 0.563 . . . . 0.0 112.072 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.76 -15.36 59.71 Favored Glycine 0 N--CA 1.442 -0.93 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.1 mt -84.81 102.02 10.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 71.1 m -102.96 112.68 25.62 Favored 'General case' 0 C--N 1.289 -2.06 0 CA-C-O 121.202 0.525 . . . . 0.0 109.755 178.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -128.4 154.4 46.06 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.411 ' HG2' ' HB3' ' A' ' 3' ' ' CYS . 42.0 ttm180 -93.22 99.31 11.9 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -82.04 135.82 35.3 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.246 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.8 m -109.47 117.76 34.86 Favored 'General case' 0 C--N 1.279 -2.474 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.769 177.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -103.2 102.0 11.97 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 177.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.964 0 N-CA-C 109.229 -1.548 . . . . 0.0 109.229 -174.275 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.5 pttp . . . . . 0 N--CA 1.442 -0.872 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -83.64 113.39 20.81 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.2 m -109.1 129.01 55.47 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 177.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.42 ' CE1' HG22 ' A' ' 6' ' ' VAL . 6.0 p90 -148.68 164.42 34.39 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -80.04 123.36 27.77 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.373 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.517 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 37.3 t -116.67 121.36 67.5 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.172 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.2 m -109.95 118.99 37.91 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -126.76 113.96 17.33 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -177.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 64.69 19.89 11.96 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.425 0.69 . . . . 0.0 110.524 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.02 -9.37 75.34 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 -176.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.2 mt -86.39 110.02 19.54 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 60.5 m -101.42 130.88 47.73 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-O 121.065 0.459 . . . . 0.0 110.031 -177.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -141.52 150.36 42.06 Favored 'General case' 0 N--CA 1.422 -1.839 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 -86.99 103.69 15.58 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -96.25 130.89 43.22 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.5 m -109.23 109.05 19.88 Favored 'General case' 0 N--CA 1.417 -2.096 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 175.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -104.6 104.45 14.28 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.272 0 N-CA-C 107.927 -2.069 . . . . 0.0 107.927 -172.255 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.6 pttm . . . . . 0 N--CA 1.448 -0.572 0 CA-C-O 121.62 0.724 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -115.11 130.73 57.0 Favored 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.1 m -115.9 135.77 53.68 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -147.29 164.07 34.4 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.373 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 -81.24 127.26 32.5 Favored 'General case' 0 N--CA 1.426 -1.625 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.963 -177.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.6 t -121.6 127.17 75.53 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.061 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 176.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.1 m -112.61 128.9 56.5 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.315 0.578 . . . . 0.0 111.383 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -122.01 102.86 8.43 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.916 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 55.78 35.65 25.76 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.426 0.69 . . . . 0.0 111.967 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.41 -21.6 43.55 Favored Glycine 0 C--N 1.314 -0.659 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.346 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.9 mt -79.78 99.86 3.94 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.5 m -102.15 131.57 48.58 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.054 0.454 . . . . 0.0 110.198 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -138.81 160.34 39.92 Favored 'General case' 0 N--CA 1.421 -1.913 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.187 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -84.49 104.65 14.68 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 175.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -100.9 131.95 46.53 Favored 'General case' 0 C--N 1.286 -2.16 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 177.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.0 m -109.66 131.03 55.44 Favored 'General case' 0 C--N 1.286 -2.167 0 CA-C-O 121.632 0.729 . . . . 0.0 109.901 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -119.87 107.07 12.7 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.554 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.363 -179.544 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.3 pttp . . . . . 0 C--O 1.242 0.678 0 CA-C-O 121.059 0.457 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -105.65 119.71 39.82 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 78.4 m -109.95 128.18 55.22 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -134.96 160.55 37.93 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.81 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -87.12 123.03 31.73 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 120.632 0.254 . . . . 0.0 110.855 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 77.2 t -116.48 129.22 73.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 176.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.5 m -109.78 119.62 39.94 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.288 0.566 . . . . 0.0 109.894 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -131.91 109.46 10.1 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.153 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 63.14 28.46 16.0 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.916 0.886 . . . . 0.0 111.569 177.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.82 -19.44 53.33 Favored Glycine 0 C--O 1.244 0.769 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.3 mt -82.89 103.73 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.146 0 C-N-CA 123.615 0.766 . . . . 0.0 108.956 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 81.3 m -99.33 115.36 29.02 Favored 'General case' 0 C--N 1.281 -2.402 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 175.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -121.29 169.67 10.35 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.743 -176.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -92.17 99.16 12.01 Favored 'General case' 0 N--CA 1.426 -1.67 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 23.0 tptm -84.84 119.54 25.44 Favored 'General case' 0 C--N 1.289 -2.04 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.6 m -111.68 109.79 19.85 Favored 'General case' 0 C--N 1.277 -2.574 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.891 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -105.2 101.08 10.65 Favored 'General case' 0 N--CA 1.423 -1.818 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.193 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.07 -177.751 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 67.1 mttm . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -113.77 126.31 55.07 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -176.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 77.3 m -108.44 123.53 49.0 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 177.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -141.77 170.4 15.78 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.005 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -88.23 127.02 35.45 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 81.8 t -110.44 120.67 61.8 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.245 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 175.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.9 m -109.23 119.48 39.62 Favored 'General case' 0 N--CA 1.421 -1.91 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -125.18 105.26 9.01 Favored 'General case' 0 C--N 1.277 -2.566 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.654 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 64.51 23.51 12.92 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.095 0.958 . . . . 0.0 111.468 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.93 -11.1 58.92 Favored Glycine 0 N--CA 1.441 -1.011 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.113 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.1 mt -86.6 105.63 15.02 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 76.7 m -110.05 119.16 38.42 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-O 120.98 0.419 . . . . 0.0 111.258 -175.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -131.37 160.4 35.16 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -91.85 95.14 9.67 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -99.14 137.14 38.09 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.25 0.548 . . . . 0.0 110.047 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.8 m -109.25 122.16 46.72 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.727 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -116.24 117.87 31.21 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -0.829 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 -177.668 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.4 pttm . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 121.084 0.469 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -83.21 112.95 20.32 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.1 m -109.34 137.25 47.49 Favored 'General case' 0 C--N 1.283 -2.287 0 CA-C-O 121.177 0.513 . . . . 0.0 109.897 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -145.69 157.69 43.93 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.222 -175.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -96.04 125.44 40.58 Favored 'General case' 0 C--N 1.284 -2.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.938 -177.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 58.7 t -111.36 132.09 60.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 177.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.4 m -109.27 128.85 55.4 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-O 121.322 0.582 . . . . 0.0 110.156 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -139.06 107.39 5.8 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.005 179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 65.5 23.74 11.86 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.468 1.107 . . . . 0.0 111.705 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.33 -11.76 60.02 Favored Glycine 0 C--N 1.306 -1.1 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 -178.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.2 mt -88.68 99.71 9.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.289 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.2 m -97.05 115.85 28.2 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 176.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -121.49 160.9 23.25 Favored 'General case' 0 N--CA 1.418 -2.038 0 CA-C-O 120.87 0.367 . . . . 0.0 110.446 -175.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -91.52 99.72 12.6 Favored 'General case' 0 N--CA 1.417 -2.087 0 CA-C-N 115.143 -0.935 . . . . 0.0 108.678 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -96.26 138.78 33.36 Favored 'General case' 0 C--N 1.285 -2.205 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.0 m -119.78 131.5 55.35 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-O 121.54 0.686 . . . . 0.0 111.037 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -109.79 91.33 3.6 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 105.609 -1.997 . . . . 0.0 105.609 176.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.602 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 -172.441 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 N--CA 1.449 -0.491 0 CA-C-O 121.068 0.461 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.437 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 3.3 t90 -95.04 116.07 28.23 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.4 m -109.94 119.91 40.8 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 120.939 0.4 . . . . 0.0 110.744 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -129.63 158.92 37.99 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.373 -176.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -88.07 125.41 34.55 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.761 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.515 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 40.7 t -115.9 123.02 70.76 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.6 m -113.18 125.87 54.81 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -136.52 105.77 6.03 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 62.39 26.82 16.01 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.167 0.987 . . . . 0.0 111.106 178.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.27 -12.89 60.24 Favored Glycine 0 N--CA 1.44 -1.099 0 C-N-CA 120.395 -0.907 . . . . 0.0 111.941 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.0 mt -85.5 99.51 7.54 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.515 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.8 m -101.69 125.94 48.45 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 176.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -135.32 158.84 43.34 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -96.52 101.62 13.27 Favored 'General case' 0 N--CA 1.422 -1.864 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -90.06 134.74 34.07 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 2' ' ' TRP . 81.3 m -115.99 110.37 18.84 Favored 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.867 -178.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -91.17 105.25 17.67 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 175.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.55 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 -176.171 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.6 pttm . . . . . 0 N--CA 1.441 -0.914 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -86.19 110.4 19.56 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -178.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 58.0 m -108.97 125.89 52.52 Favored 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -140.1 162.14 35.95 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -86.01 124.39 32.4 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 60.0 t -107.77 121.76 61.16 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.17 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 176.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.4 m -109.34 119.2 38.74 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -143.94 118.97 10.02 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.374 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 60.94 27.64 17.48 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.926 0.89 . . . . 0.0 111.767 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.61 -7.26 77.54 Favored Glycine 0 N--CA 1.439 -1.138 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.83 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.7 mt -92.94 112.31 25.99 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -178.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 74.0 m -107.85 118.4 36.65 Favored 'General case' 0 C--N 1.282 -2.367 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 176.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -132.88 148.32 52.29 Favored 'General case' 0 N--CA 1.429 -1.516 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.095 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -84.13 98.97 10.2 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 62.0 tttp -93.67 134.26 36.17 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.647 -177.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.3 m -109.35 109.79 20.77 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.731 0.777 . . . . 0.0 110.644 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -96.11 91.17 5.81 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.906 0 N-CA-C 109.004 -1.638 . . . . 0.0 109.004 -174.956 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp . . . . . 0 N--CA 1.434 -1.261 0 CA-C-O 120.322 0.106 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -87.97 123.26 32.51 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -175.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 87.6 m -109.37 120.95 44.06 Favored 'General case' 0 C--N 1.284 -2.244 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 177.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -128.81 162.54 27.23 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.184 -176.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -91.28 126.03 36.23 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-O 121.006 0.431 . . . . 0.0 110.236 -177.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 61.0 t -111.38 124.94 68.62 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.817 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.4 m -109.67 119.43 39.37 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-O 121.37 0.605 . . . . 0.0 109.862 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -124.56 107.17 10.76 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.564 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 60.71 27.51 17.25 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.958 0.903 . . . . 0.0 111.344 177.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.16 -16.59 56.93 Favored Glycine 0 N--CA 1.435 -1.382 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.467 -178.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.4 mt -83.35 108.24 15.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.9 m -106.06 115.66 30.6 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 121.252 0.549 . . . . 0.0 110.674 -178.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.411 ' CD1' ' HB2' ' A' ' 15' ' ' LYS . 41.6 p90 -123.04 147.13 47.04 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.99 -178.247 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -85.21 98.15 10.32 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 8.8 tmtm? -97.8 142.21 29.85 Favored 'General case' 0 C--N 1.282 -2.361 0 CA-C-N 114.887 -1.052 . . . . 0.0 108.282 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 61.7 m -113.49 141.08 47.55 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 120.304 -0.558 . . . . 0.0 111.997 -176.184 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -125.0 107.44 10.82 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 177.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.252 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 -175.364 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? . . . . . 0 C--O 1.241 0.608 0 CA-C-O 120.815 0.34 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 10.9 t-105 -108.82 126.96 53.6 Favored 'General case' 0 N--CA 1.433 -1.321 0 C-N-CA 119.778 -0.769 . . . . 0.0 109.594 -178.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.4 m -109.98 129.56 55.65 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-O 121.047 0.451 . . . . 0.0 110.175 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -133.56 167.45 20.45 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.752 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -101.87 123.69 46.23 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-O 121.026 0.441 . . . . 0.0 110.223 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 75.5 t -108.24 126.9 64.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.4 m -109.77 119.36 39.12 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-O 121.267 0.556 . . . . 0.0 109.671 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -127.56 110.17 12.45 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.629 -178.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 61.04 25.37 15.4 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.158 0.983 . . . . 0.0 112.494 177.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.73 -7.5 59.34 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.681 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.0 mt -94.7 110.48 23.87 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.214 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 79.6 m -104.51 121.14 42.85 Favored 'General case' 0 C--N 1.286 -2.196 0 CA-C-O 121.045 0.45 . . . . 0.0 109.87 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -126.92 152.8 46.64 Favored 'General case' 0 N--CA 1.429 -1.514 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.46 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -89.2 93.91 9.74 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -177.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -91.12 141.0 29.29 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.9 m -123.08 126.79 47.74 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-O 120.765 0.316 . . . . 0.0 110.773 -177.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -110.76 101.0 9.65 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.283 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.544 -179.304 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt . . . . . 0 CA--C 1.534 0.347 0 CA-C-O 121.206 0.527 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -116.78 111.62 20.0 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.284 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 71.0 m -108.98 126.59 53.26 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.045 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -143.29 166.53 24.48 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -178.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -93.25 133.88 36.01 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.469 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.5 t -119.79 133.98 64.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 176.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 71.1 m -109.29 119.16 38.64 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 174.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -120.76 111.89 18.16 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.897 -178.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 59.55 28.86 18.36 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.846 0.858 . . . . 0.0 111.061 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.81 -14.47 63.99 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.23 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.3 mt -88.12 106.12 16.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 62.1 m -95.84 128.75 42.99 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-O 120.673 0.273 . . . . 0.0 110.641 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -143.03 155.25 44.6 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -86.44 101.9 13.58 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -92.74 135.01 34.48 Favored 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.7 m -109.86 125.55 52.89 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.79 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -110.14 89.47 3.03 Favored 'General case' 0 N--CA 1.421 -1.91 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 175.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.815 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.006 -176.782 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.7 pttm . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 121.117 0.484 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -91.2 105.84 18.09 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.4 m -109.05 124.08 50.18 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-O 121.196 0.522 . . . . 0.0 110.164 -177.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -132.0 152.22 51.27 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.856 -177.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -84.54 126.27 33.16 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 39.6 t -113.83 127.02 71.41 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.256 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 73.0 m -110.25 120.01 41.06 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 176.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -123.08 102.66 8.1 Favored 'General case' 0 N--CA 1.421 -1.898 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.76 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 61.28 32.31 19.31 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.699 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.51 -7.72 63.78 Favored Glycine 0 C--N 1.314 -0.644 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.954 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.2 mt -96.21 101.91 12.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.5 m -96.55 126.06 41.47 Favored 'General case' 0 C--N 1.287 -2.113 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -134.72 152.33 51.68 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -95.01 102.08 13.87 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -89.79 138.09 31.78 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 87.0 m -116.48 115.94 26.74 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.036 0.446 . . . . 0.0 111.897 -178.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -94.15 94.63 8.48 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 173.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.89 0 N-CA-C 108.62 -1.792 . . . . 0.0 108.62 -172.653 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 94.4 mttt . . . . . 0 N--CA 1.448 -0.568 0 CA-C-O 120.906 0.384 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.8 t-105 -102.71 121.27 42.09 Favored 'General case' 0 N--CA 1.433 -1.323 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.655 -173.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 97.4 m -115.38 129.42 56.58 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 174.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -144.35 169.92 17.0 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -92.85 130.83 38.32 Favored 'General case' 0 N--CA 1.422 -1.836 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 41.6 t -116.52 116.04 50.97 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.096 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 177.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.9 m -108.96 119.33 39.23 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 175.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -141.49 113.48 7.93 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.995 -177.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 65.95 20.46 11.32 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.275 1.03 . . . . 0.0 111.784 178.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.37 -10.17 59.52 Favored Glycine 0 N--CA 1.436 -1.308 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.394 -178.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.3 mt -89.55 105.52 16.12 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 76.1 m -104.14 124.28 48.79 Favored 'General case' 0 C--N 1.287 -2.139 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 177.335 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -138.38 156.65 47.4 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 120.758 0.313 . . . . 0.0 110.247 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -90.8 100.81 13.6 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -93.3 131.77 38.12 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.5 m -115.4 132.83 56.5 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.01 177.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -129.5 92.51 3.36 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.126 0 C-N-CA 121.466 -0.397 . . . . 0.0 112.408 178.112 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp . . . . . 0 N--CA 1.442 -0.841 0 CA-C-O 120.652 0.263 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 11.0 t-105 -93.21 125.82 38.01 Favored 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.172 -174.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.9 m -115.67 127.01 54.85 Favored 'General case' 0 C--N 1.284 -2.278 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -142.49 165.28 27.84 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -176.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -102.48 124.71 48.53 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.175 -177.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 34.7 t -107.24 134.2 49.67 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.8 m -112.65 119.38 37.9 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.469 0.652 . . . . 0.0 109.696 177.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -129.51 111.21 12.52 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 63.15 24.14 14.25 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.822 0.849 . . . . 0.0 111.216 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.22 -12.06 65.35 Favored Glycine 0 CA--C 1.504 -0.594 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.3 mt -85.76 106.51 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.23 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 79.6 m -101.59 124.79 47.83 Favored 'General case' 0 C--N 1.287 -2.14 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -135.04 146.1 48.64 Favored 'General case' 0 N--CA 1.424 -1.732 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.662 -176.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -84.69 100.16 11.29 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -94.55 137.54 33.55 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.1 m -114.72 133.33 55.98 Favored 'General case' 0 C--N 1.287 -2.118 0 CA-C-O 121.278 0.561 . . . . 0.0 110.713 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -121.08 100.87 7.31 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.516 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -178.505 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 66.1 mttm . . . . . 0 N--CA 1.435 -1.191 0 N-CA-C 111.482 0.179 . . . . 0.0 111.482 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -112.8 132.75 55.12 Favored 'General case' 0 N--CA 1.427 -1.611 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.167 -173.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 70.9 m -117.6 119.64 35.62 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 175.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -145.19 163.62 33.85 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -177.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -80.0 121.38 25.42 Favored 'General case' 0 N--CA 1.422 -1.844 0 CA-C-O 121.248 0.547 . . . . 0.0 109.625 178.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 96.7 t -109.62 130.04 63.4 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.351 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 94.4 m -109.73 119.04 38.14 Favored 'General case' 0 C--N 1.287 -2.117 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 175.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -126.27 103.23 7.55 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.917 -177.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 62.79 29.37 16.69 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.841 0.856 . . . . 0.0 110.837 177.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.37 -15.82 58.53 Favored Glycine 0 C--N 1.311 -0.809 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.0 mt -85.08 104.21 12.93 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 86.4 m -102.4 121.36 42.16 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 121.163 0.506 . . . . 0.0 109.958 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -142.25 154.84 45.08 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.068 -176.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -84.26 101.98 12.32 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -103.62 136.53 43.15 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.574 -177.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.6 m -108.76 128.25 54.72 Favored 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -127.88 101.66 6.43 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.732 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.3 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.7 t-105 . . . . . 0 N--CA 1.442 -0.834 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 70.8 m -108.7 123.77 49.5 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -130.51 149.23 52.28 Favored 'General case' 0 N--CA 1.421 -1.921 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.212 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -82.47 123.5 29.21 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.942 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 45.0 t -111.54 116.78 53.45 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.8 m -109.59 119.13 38.45 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 174.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -130.02 109.44 10.86 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.339 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 63.08 23.89 14.19 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.734 0.814 . . . . 0.0 111.528 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.12 -14.02 60.04 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.852 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.8 mt -86.31 107.31 16.49 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 76.8 m -106.57 127.66 53.51 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.465 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -139.17 146.77 40.98 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 120.813 0.34 . . . . 0.0 111.53 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -82.37 98.77 9.02 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -92.5 127.27 37.94 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 78.0 m -109.7 111.27 22.63 Favored 'General case' 0 C--N 1.281 -2.381 0 CA-C-O 121.433 0.635 . . . . 0.0 110.33 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 . . . . . 0 C--N 1.31 -1.137 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -177.83 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 . . . . . 0 N--CA 1.44 -0.953 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.7 m -108.46 125.4 51.74 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -138.02 170.29 16.29 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.022 -176.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -91.38 124.06 35.28 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.923 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 87.0 t -120.71 122.72 68.65 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 177.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 83.5 m -110.75 119.24 38.47 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 177.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -118.04 107.25 13.79 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.382 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 63.1 25.93 15.14 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.977 0.911 . . . . 0.0 110.805 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.18 -11.31 60.23 Favored Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 121.225 -0.512 . . . . 0.0 111.908 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.9 mt -89.44 103.89 14.5 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 60.6 m -95.98 130.31 43.0 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -137.15 159.48 41.77 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.444 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -83.67 102.69 12.41 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.648 177.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -98.49 125.85 43.83 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.0 m -109.91 111.33 22.68 Favored 'General case' 0 C--N 1.282 -2.367 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.782 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 . . . . . 0 C--N 1.297 -1.697 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 -178.174 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 13.5 t-105 . . . . . 0 N--CA 1.447 -0.613 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.9 m -128.33 136.2 50.64 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -146.27 168.62 20.62 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -83.78 118.84 24.18 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 121.161 0.505 . . . . 0.0 111.179 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.4 t -109.78 124.54 66.59 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.2 m -111.38 124.59 52.56 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-O 120.981 0.42 . . . . 0.0 111.127 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -129.73 111.95 13.15 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.029 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 64.7 20.0 12.0 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.053 0.941 . . . . 0.0 111.646 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.18 -16.41 58.2 Favored Glycine 0 C--N 1.308 -0.996 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.1 mt -80.46 104.75 9.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.2 m -103.94 125.28 50.21 Favored 'General case' 0 C--N 1.286 -2.153 0 CA-C-O 121.273 0.559 . . . . 0.0 110.439 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -133.25 151.97 51.93 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -86.09 102.29 13.72 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -92.24 138.63 31.37 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.1 m -109.78 135.3 50.9 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-O 120.956 0.408 . . . . 0.0 110.809 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 . . . . . 0 C--N 1.309 -1.161 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 177.402 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 7.7 t-105 . . . . . 0 N--CA 1.434 -1.234 0 CA-C-O 120.791 0.329 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 99.9 m -109.88 126.98 54.42 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 175.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -136.89 170.16 16.56 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -100.63 129.64 46.58 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -177.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.4 t -118.66 130.42 73.52 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 74.8 m -109.66 119.48 39.52 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 175.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -120.71 104.77 10.17 Favored 'General case' 0 N--CA 1.423 -1.816 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.702 -178.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 60.96 30.59 19.71 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.252 1.021 . . . . 0.0 111.321 176.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.44 -9.98 59.31 Favored Glycine 0 C--O 1.241 0.564 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.433 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.5 mt -95.51 108.53 21.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 69.5 m -98.88 129.31 45.23 Favored 'General case' 0 C--N 1.288 -2.08 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -139.24 163.57 32.1 Favored 'General case' 0 N--CA 1.42 -1.966 0 CA-C-O 121.071 0.462 . . . . 0.0 110.326 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -86.49 105.44 16.8 Favored 'General case' 0 C--N 1.288 -2.085 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.239 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -98.9 128.85 45.19 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 175.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.9 m -110.45 123.97 50.9 Favored 'General case' 0 C--N 1.282 -2.328 0 CA-C-O 121.187 0.517 . . . . 0.0 110.34 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 . . . . . 0 C--N 1.298 -1.654 0 N-CA-C 106.754 -1.572 . . . . 0.0 106.754 177.487 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 6.6 t-105 . . . . . 0 N--CA 1.422 -1.828 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.8 m -109.85 128.23 55.2 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.965 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -132.91 160.58 36.59 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.273 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -92.52 126.71 37.73 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.129 0.49 . . . . 0.0 110.245 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.1 t -115.92 123.14 70.9 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 175.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.0 m -109.63 120.62 43.04 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-O 121.123 0.487 . . . . 0.0 109.774 178.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -124.59 110.44 14.44 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 63.63 25.74 14.39 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.491 0.716 . . . . 0.0 111.698 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.16 -13.38 67.47 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.431 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.4 mt -84.33 100.63 7.9 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 75.2 m -97.36 124.51 41.54 Favored 'General case' 0 C--N 1.291 -1.967 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.007 -178.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -128.18 148.57 50.61 Favored 'General case' 0 N--CA 1.412 -2.341 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -89.27 100.28 13.09 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -87.46 133.99 33.67 Favored 'General case' 0 C--N 1.289 -2.04 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.379 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.8 m -116.81 136.06 53.26 Favored 'General case' 0 C--N 1.281 -2.41 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 . . . . . 0 C--N 1.302 -1.489 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 178.116 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 . . . . . 0 N--CA 1.44 -0.968 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 65.5 m -109.34 136.86 48.1 Favored 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 120.775 0.322 . . . . 0.0 110.611 -179.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -148.22 154.1 39.64 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.003 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -82.3 123.44 29.06 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 121.043 0.449 . . . . 0.0 111.38 -177.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 45.4 t -114.35 126.38 71.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.5 m -110.2 118.79 37.31 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 121.242 0.544 . . . . 0.0 109.585 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -132.96 109.94 9.92 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.037 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 62.21 26.0 15.58 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.106 0.563 . . . . 0.0 112.072 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.76 -15.36 59.71 Favored Glycine 0 N--CA 1.442 -0.93 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.1 mt -84.81 102.02 10.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 71.1 m -102.96 112.68 25.62 Favored 'General case' 0 C--N 1.289 -2.06 0 CA-C-O 121.202 0.525 . . . . 0.0 109.755 178.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -128.4 154.4 46.06 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.411 ' HG2' ' HB3' ' A' ' 3' ' ' CYS . 42.0 ttm180 -93.22 99.31 11.9 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -82.04 135.82 35.3 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.246 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.8 m -109.47 117.76 34.86 Favored 'General case' 0 C--N 1.279 -2.474 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.769 177.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 . . . . . 0 C--N 1.298 -1.648 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 177.673 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 . . . . . 0 N--CA 1.445 -0.676 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.2 m -109.1 129.01 55.47 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 177.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.42 ' CE1' HG22 ' A' ' 6' ' ' VAL . 6.0 p90 -148.68 164.42 34.39 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -80.04 123.36 27.77 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.373 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.517 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 37.3 t -116.67 121.36 67.5 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.172 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.2 m -109.95 118.99 37.91 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -126.76 113.96 17.33 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -177.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 64.69 19.89 11.96 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.425 0.69 . . . . 0.0 110.524 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.02 -9.37 75.34 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 -176.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.2 mt -86.39 110.02 19.54 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 60.5 m -101.42 130.88 47.73 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-O 121.065 0.459 . . . . 0.0 110.031 -177.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -141.52 150.36 42.06 Favored 'General case' 0 N--CA 1.422 -1.839 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 -86.99 103.69 15.58 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -96.25 130.89 43.22 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.5 m -109.23 109.05 19.88 Favored 'General case' 0 N--CA 1.417 -2.096 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 175.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 . . . . . 0 C--N 1.294 -1.826 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 -178.113 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 . . . . . 0 N--CA 1.437 -1.089 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.1 m -115.9 135.77 53.68 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -147.29 164.07 34.4 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.373 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 -81.24 127.26 32.5 Favored 'General case' 0 N--CA 1.426 -1.625 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.963 -177.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.6 t -121.6 127.17 75.53 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.061 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 176.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.1 m -112.61 128.9 56.5 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.315 0.578 . . . . 0.0 111.383 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -122.01 102.86 8.43 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.916 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 55.78 35.65 25.76 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.426 0.69 . . . . 0.0 111.967 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.41 -21.6 43.55 Favored Glycine 0 C--N 1.314 -0.659 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.346 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.9 mt -79.78 99.86 3.94 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.5 m -102.15 131.57 48.58 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.054 0.454 . . . . 0.0 110.198 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -138.81 160.34 39.92 Favored 'General case' 0 N--CA 1.421 -1.913 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.187 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -84.49 104.65 14.68 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 175.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -100.9 131.95 46.53 Favored 'General case' 0 C--N 1.286 -2.16 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 177.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.0 m -109.66 131.03 55.44 Favored 'General case' 0 C--N 1.286 -2.167 0 CA-C-O 121.632 0.729 . . . . 0.0 109.901 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? . . . . . 0 C--N 1.293 -1.89 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.442 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 . . . . . 0 N--CA 1.438 -1.033 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 78.4 m -109.95 128.18 55.22 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -134.96 160.55 37.93 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.81 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -87.12 123.03 31.73 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 120.632 0.254 . . . . 0.0 110.855 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 77.2 t -116.48 129.22 73.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 176.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.5 m -109.78 119.62 39.94 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.288 0.566 . . . . 0.0 109.894 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -131.91 109.46 10.1 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.153 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 63.14 28.46 16.0 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.916 0.886 . . . . 0.0 111.569 177.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.82 -19.44 53.33 Favored Glycine 0 C--O 1.244 0.769 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.3 mt -82.89 103.73 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.146 0 C-N-CA 123.615 0.766 . . . . 0.0 108.956 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 81.3 m -99.33 115.36 29.02 Favored 'General case' 0 C--N 1.281 -2.402 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 175.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -121.29 169.67 10.35 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.743 -176.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -92.17 99.16 12.01 Favored 'General case' 0 N--CA 1.426 -1.67 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 23.0 tptm -84.84 119.54 25.44 Favored 'General case' 0 C--N 1.289 -2.04 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.6 m -111.68 109.79 19.85 Favored 'General case' 0 C--N 1.277 -2.574 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.891 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? . . . . . 0 N--CA 1.423 -1.818 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 178.941 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 . . . . . 0 N--CA 1.44 -0.974 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 77.3 m -108.44 123.53 49.0 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 177.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -141.77 170.4 15.78 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.005 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -88.23 127.02 35.45 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 81.8 t -110.44 120.67 61.8 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.245 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 175.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.9 m -109.23 119.48 39.62 Favored 'General case' 0 N--CA 1.421 -1.91 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -125.18 105.26 9.01 Favored 'General case' 0 C--N 1.277 -2.566 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.654 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 64.51 23.51 12.92 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.095 0.958 . . . . 0.0 111.468 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.93 -11.1 58.92 Favored Glycine 0 N--CA 1.441 -1.011 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.113 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.1 mt -86.6 105.63 15.02 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 76.7 m -110.05 119.16 38.42 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-O 120.98 0.419 . . . . 0.0 111.258 -175.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -131.37 160.4 35.16 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -91.85 95.14 9.67 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -99.14 137.14 38.09 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.25 0.548 . . . . 0.0 110.047 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.8 m -109.25 122.16 46.72 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.727 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? . . . . . 0 C--N 1.296 -1.74 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 -178.587 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 . . . . . 0 N--CA 1.447 -0.593 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.1 m -109.34 137.25 47.49 Favored 'General case' 0 C--N 1.283 -2.287 0 CA-C-O 121.177 0.513 . . . . 0.0 109.897 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -145.69 157.69 43.93 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.222 -175.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -96.04 125.44 40.58 Favored 'General case' 0 C--N 1.284 -2.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.938 -177.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 58.7 t -111.36 132.09 60.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 177.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.4 m -109.27 128.85 55.4 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-O 121.322 0.582 . . . . 0.0 110.156 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -139.06 107.39 5.8 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.005 179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 65.5 23.74 11.86 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.468 1.107 . . . . 0.0 111.705 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.33 -11.76 60.02 Favored Glycine 0 C--N 1.306 -1.1 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 -178.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.2 mt -88.68 99.71 9.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.289 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.2 m -97.05 115.85 28.2 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 176.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -121.49 160.9 23.25 Favored 'General case' 0 N--CA 1.418 -2.038 0 CA-C-O 120.87 0.367 . . . . 0.0 110.446 -175.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -91.52 99.72 12.6 Favored 'General case' 0 N--CA 1.417 -2.087 0 CA-C-N 115.143 -0.935 . . . . 0.0 108.678 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -96.26 138.78 33.36 Favored 'General case' 0 C--N 1.285 -2.205 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.0 m -119.78 131.5 55.35 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-O 121.54 0.686 . . . . 0.0 111.037 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 . . . . . 0 C--N 1.295 -1.765 0 N-CA-C 105.609 -1.997 . . . . 0.0 105.609 176.573 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.437 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 3.3 t90 . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.4 m -109.94 119.91 40.8 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 120.939 0.4 . . . . 0.0 110.744 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -129.63 158.92 37.99 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.373 -176.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -88.07 125.41 34.55 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.761 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.515 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 40.7 t -115.9 123.02 70.76 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.6 m -113.18 125.87 54.81 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -136.52 105.77 6.03 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 62.39 26.82 16.01 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.167 0.987 . . . . 0.0 111.106 178.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.27 -12.89 60.24 Favored Glycine 0 N--CA 1.44 -1.099 0 C-N-CA 120.395 -0.907 . . . . 0.0 111.941 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.0 mt -85.5 99.51 7.54 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.515 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.8 m -101.69 125.94 48.45 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 176.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -135.32 158.84 43.34 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -96.52 101.62 13.27 Favored 'General case' 0 N--CA 1.422 -1.864 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -90.06 134.74 34.07 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 2' ' ' TRP . 81.3 m -115.99 110.37 18.84 Favored 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.867 -178.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 . . . . . 0 C--N 1.3 -1.568 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 175.648 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.2 t90 . . . . . 0 N--CA 1.445 -0.68 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 58.0 m -108.97 125.89 52.52 Favored 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -140.1 162.14 35.95 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -86.01 124.39 32.4 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 60.0 t -107.77 121.76 61.16 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.17 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 176.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.4 m -109.34 119.2 38.74 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -143.94 118.97 10.02 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.374 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 60.94 27.64 17.48 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.926 0.89 . . . . 0.0 111.767 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.61 -7.26 77.54 Favored Glycine 0 N--CA 1.439 -1.138 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.83 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.7 mt -92.94 112.31 25.99 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -178.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 74.0 m -107.85 118.4 36.65 Favored 'General case' 0 C--N 1.282 -2.367 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 176.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -132.88 148.32 52.29 Favored 'General case' 0 N--CA 1.429 -1.516 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.095 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -84.13 98.97 10.2 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 62.0 tttp -93.67 134.26 36.17 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.647 -177.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.3 m -109.35 109.79 20.77 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.731 0.777 . . . . 0.0 110.644 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 . . . . . 0 C--N 1.294 -1.818 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 177.154 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 . . . . . 0 N--CA 1.439 -1.0 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 87.6 m -109.37 120.95 44.06 Favored 'General case' 0 C--N 1.284 -2.244 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 177.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -128.81 162.54 27.23 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.184 -176.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -91.28 126.03 36.23 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-O 121.006 0.431 . . . . 0.0 110.236 -177.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 61.0 t -111.38 124.94 68.62 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.817 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.4 m -109.67 119.43 39.37 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-O 121.37 0.605 . . . . 0.0 109.862 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -124.56 107.17 10.76 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.564 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 60.71 27.51 17.25 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.958 0.903 . . . . 0.0 111.344 177.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.16 -16.59 56.93 Favored Glycine 0 N--CA 1.435 -1.382 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.467 -178.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.4 mt -83.35 108.24 15.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.9 m -106.06 115.66 30.6 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 121.252 0.549 . . . . 0.0 110.674 -178.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.411 ' CD1' ' HB2' ' A' ' 15' ' ' LYS . 41.6 p90 -123.04 147.13 47.04 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.99 -178.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -85.21 98.15 10.32 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 8.8 tmtm? -97.8 142.21 29.85 Favored 'General case' 0 C--N 1.282 -2.361 0 CA-C-N 114.887 -1.052 . . . . 0.0 108.282 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 61.7 m -113.49 141.08 47.55 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 120.304 -0.558 . . . . 0.0 111.997 -176.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 . . . . . 0 C--N 1.308 -1.197 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 177.692 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 10.9 t-105 . . . . . 0 N--CA 1.433 -1.321 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.4 m -109.98 129.56 55.65 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-O 121.047 0.451 . . . . 0.0 110.175 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -133.56 167.45 20.45 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.752 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -101.87 123.69 46.23 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-O 121.026 0.441 . . . . 0.0 110.223 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 75.5 t -108.24 126.9 64.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.4 m -109.77 119.36 39.12 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-O 121.267 0.556 . . . . 0.0 109.671 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -127.56 110.17 12.45 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.629 -178.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 61.04 25.37 15.4 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.158 0.983 . . . . 0.0 112.494 177.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.73 -7.5 59.34 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.681 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.0 mt -94.7 110.48 23.87 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.214 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 79.6 m -104.51 121.14 42.85 Favored 'General case' 0 C--N 1.286 -2.196 0 CA-C-O 121.045 0.45 . . . . 0.0 109.87 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -126.92 152.8 46.64 Favored 'General case' 0 N--CA 1.429 -1.514 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.46 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -89.2 93.91 9.74 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -177.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -91.12 141.0 29.29 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.9 m -123.08 126.79 47.74 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-O 120.765 0.316 . . . . 0.0 110.773 -177.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 . . . . . 0 C--N 1.305 -1.345 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 177.661 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 21.6 t90 . . . . . 0 N--CA 1.437 -1.111 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 71.0 m -108.98 126.59 53.26 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -143.29 166.53 24.48 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -178.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -93.25 133.88 36.01 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.469 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.5 t -119.79 133.98 64.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 176.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 71.1 m -109.29 119.16 38.64 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 174.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -120.76 111.89 18.16 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.897 -178.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 59.55 28.86 18.36 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.846 0.858 . . . . 0.0 111.061 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.81 -14.47 63.99 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.23 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.3 mt -88.12 106.12 16.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 62.1 m -95.84 128.75 42.99 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-O 120.673 0.273 . . . . 0.0 110.641 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -143.03 155.25 44.6 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -86.44 101.9 13.58 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -92.74 135.01 34.48 Favored 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.7 m -109.86 125.55 52.89 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.79 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 . . . . . 0 N--CA 1.421 -1.91 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 175.329 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.2 t90 . . . . . 0 N--CA 1.439 -0.984 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.4 m -109.05 124.08 50.18 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-O 121.196 0.522 . . . . 0.0 110.164 -177.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -132.0 152.22 51.27 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.856 -177.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -84.54 126.27 33.16 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 39.6 t -113.83 127.02 71.41 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.256 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 73.0 m -110.25 120.01 41.06 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 176.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -123.08 102.66 8.1 Favored 'General case' 0 N--CA 1.421 -1.898 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.76 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 61.28 32.31 19.31 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.699 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.51 -7.72 63.78 Favored Glycine 0 C--N 1.314 -0.644 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.954 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.2 mt -96.21 101.91 12.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.5 m -96.55 126.06 41.47 Favored 'General case' 0 C--N 1.287 -2.113 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -134.72 152.33 51.68 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -95.01 102.08 13.87 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -89.79 138.09 31.78 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 87.0 m -116.48 115.94 26.74 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.036 0.446 . . . . 0.0 111.897 -178.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 . . . . . 0 C--N 1.302 -1.494 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 173.96 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.8 t-105 . . . . . 0 N--CA 1.433 -1.323 0 CA-C-O 120.719 0.295 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 97.4 m -115.38 129.42 56.58 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 174.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -144.35 169.92 17.0 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -92.85 130.83 38.32 Favored 'General case' 0 N--CA 1.422 -1.836 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 41.6 t -116.52 116.04 50.97 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.096 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 177.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.9 m -108.96 119.33 39.23 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 175.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -141.49 113.48 7.93 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.995 -177.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 65.95 20.46 11.32 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.275 1.03 . . . . 0.0 111.784 178.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.37 -10.17 59.52 Favored Glycine 0 N--CA 1.436 -1.308 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.394 -178.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.3 mt -89.55 105.52 16.12 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 76.1 m -104.14 124.28 48.79 Favored 'General case' 0 C--N 1.287 -2.139 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 177.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -138.38 156.65 47.4 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 120.758 0.313 . . . . 0.0 110.247 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -90.8 100.81 13.6 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -93.3 131.77 38.12 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.5 m -115.4 132.83 56.5 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.01 177.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 . . . . . 0 C--N 1.303 -1.436 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.109 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 11.0 t-105 . . . . . 0 N--CA 1.437 -1.11 0 CA-C-O 120.746 0.308 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.9 m -115.67 127.01 54.85 Favored 'General case' 0 C--N 1.284 -2.278 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -142.49 165.28 27.84 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -176.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -102.48 124.71 48.53 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.175 -177.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 34.7 t -107.24 134.2 49.67 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.8 m -112.65 119.38 37.9 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.469 0.652 . . . . 0.0 109.696 177.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -129.51 111.21 12.52 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 63.15 24.14 14.25 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.822 0.849 . . . . 0.0 111.216 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.22 -12.06 65.35 Favored Glycine 0 CA--C 1.504 -0.594 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.3 mt -85.76 106.51 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.23 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 79.6 m -101.59 124.79 47.83 Favored 'General case' 0 C--N 1.287 -2.14 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -135.04 146.1 48.64 Favored 'General case' 0 N--CA 1.424 -1.732 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.662 -176.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -84.69 100.16 11.29 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -94.55 137.54 33.55 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.1 m -114.72 133.33 55.98 Favored 'General case' 0 C--N 1.287 -2.118 0 CA-C-O 121.278 0.561 . . . . 0.0 110.713 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 . . . . . 0 C--N 1.295 -1.785 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.316 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 . . . . . 0 N--CA 1.427 -1.611 0 CA-C-O 120.75 0.31 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 70.9 m -117.6 119.64 35.62 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 175.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -145.19 163.62 33.85 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -177.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -80.0 121.38 25.42 Favored 'General case' 0 N--CA 1.422 -1.844 0 CA-C-O 121.248 0.547 . . . . 0.0 109.625 178.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 96.7 t -109.62 130.04 63.4 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.351 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 94.4 m -109.73 119.04 38.14 Favored 'General case' 0 C--N 1.287 -2.117 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 175.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -126.27 103.23 7.55 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.917 -177.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 62.79 29.37 16.69 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.841 0.856 . . . . 0.0 110.837 177.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.37 -15.82 58.53 Favored Glycine 0 C--N 1.311 -0.809 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.0 mt -85.08 104.21 12.93 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 86.4 m -102.4 121.36 42.16 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 121.163 0.506 . . . . 0.0 109.958 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -142.25 154.84 45.08 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.068 -176.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -84.26 101.98 12.32 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -103.62 136.53 43.15 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.574 -177.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.6 m -108.76 128.25 54.72 Favored 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 . . . . . 0 C--N 1.285 -2.212 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 178.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.1 pttp . . . . . 0 N--CA 1.446 -0.669 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.7 t-105 -100.43 124.39 45.88 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 70.8 m -108.7 123.77 49.5 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -130.51 149.23 52.28 Favored 'General case' 0 N--CA 1.421 -1.921 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.212 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -82.47 123.5 29.21 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.942 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 45.0 t -111.54 116.78 53.45 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.8 m -109.59 119.13 38.45 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 174.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -130.02 109.44 10.86 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.339 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 63.08 23.89 14.19 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.734 0.814 . . . . 0.0 111.528 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.12 -14.02 60.04 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.852 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.8 mt -86.31 107.31 16.49 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 76.8 m -106.57 127.66 53.51 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.465 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -139.17 146.77 40.98 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 120.813 0.34 . . . . 0.0 111.53 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -82.37 98.77 9.02 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -92.5 127.27 37.94 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 78.0 m -109.7 111.27 22.63 Favored 'General case' 0 C--N 1.281 -2.381 0 CA-C-O 121.433 0.635 . . . . 0.0 110.33 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -107.46 108.68 20.13 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -177.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.077 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 -175.726 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp . . . . . 0 N--CA 1.44 -0.972 0 CA-C-O 121.203 0.525 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -107.02 122.47 46.51 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.7 m -108.46 125.4 51.74 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -138.02 170.29 16.29 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.022 -176.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -91.38 124.06 35.28 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.923 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 87.0 t -120.71 122.72 68.65 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 177.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 83.5 m -110.75 119.24 38.47 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 177.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -118.04 107.25 13.79 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.382 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 63.1 25.93 15.14 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.977 0.911 . . . . 0.0 110.805 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.18 -11.31 60.23 Favored Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 121.225 -0.512 . . . . 0.0 111.908 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.9 mt -89.44 103.89 14.5 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 60.6 m -95.98 130.31 43.0 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -137.15 159.48 41.77 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.444 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -83.67 102.69 12.41 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.648 177.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -98.49 125.85 43.83 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.0 m -109.91 111.33 22.68 Favored 'General case' 0 C--N 1.282 -2.367 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.782 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -105.26 112.09 25.07 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.66 0 N-CA-C 109.165 -1.574 . . . . 0.0 109.165 -174.591 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.0 pttp . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.984 0.421 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 13.5 t-105 -105.47 138.13 42.17 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 -176.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.9 m -128.33 136.2 50.64 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -146.27 168.62 20.62 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -83.78 118.84 24.18 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 121.161 0.505 . . . . 0.0 111.179 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.4 t -109.78 124.54 66.59 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.2 m -111.38 124.59 52.56 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-O 120.981 0.42 . . . . 0.0 111.127 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -129.73 111.95 13.15 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.029 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 64.7 20.0 12.0 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.053 0.941 . . . . 0.0 111.646 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.18 -16.41 58.2 Favored Glycine 0 C--N 1.308 -0.996 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.1 mt -80.46 104.75 9.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.2 m -103.94 125.28 50.21 Favored 'General case' 0 C--N 1.286 -2.153 0 CA-C-O 121.273 0.559 . . . . 0.0 110.439 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -133.25 151.97 51.93 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -86.09 102.29 13.72 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -92.24 138.63 31.37 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.1 m -109.78 135.3 50.9 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-O 120.956 0.408 . . . . 0.0 110.809 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -121.78 105.39 10.34 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.236 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -177.632 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 7.7 t-105 -96.1 122.73 39.26 Favored 'General case' 0 N--CA 1.434 -1.234 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.274 -173.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 99.9 m -109.88 126.98 54.42 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 175.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -136.89 170.16 16.56 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -100.63 129.64 46.58 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -177.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.4 t -118.66 130.42 73.52 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 74.8 m -109.66 119.48 39.52 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 175.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -120.71 104.77 10.17 Favored 'General case' 0 N--CA 1.423 -1.816 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.702 -178.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 60.96 30.59 19.71 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.252 1.021 . . . . 0.0 111.321 176.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.44 -9.98 59.31 Favored Glycine 0 C--O 1.241 0.564 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.433 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.5 mt -95.51 108.53 21.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 69.5 m -98.88 129.31 45.23 Favored 'General case' 0 C--N 1.288 -2.08 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -139.24 163.57 32.1 Favored 'General case' 0 N--CA 1.42 -1.966 0 CA-C-O 121.071 0.462 . . . . 0.0 110.326 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -86.49 105.44 16.8 Favored 'General case' 0 C--N 1.288 -2.085 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.239 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -98.9 128.85 45.19 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 175.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.9 m -110.45 123.97 50.9 Favored 'General case' 0 C--N 1.282 -2.328 0 CA-C-O 121.187 0.517 . . . . 0.0 110.34 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -109.19 90.72 3.38 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 106.754 -1.572 . . . . 0.0 106.754 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.589 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -176.704 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 61.7 pttt . . . . . 0 N--CA 1.448 -0.534 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 6.6 t-105 -103.29 127.78 50.52 Favored 'General case' 0 N--CA 1.422 -1.828 0 C-N-CA 120.318 -0.553 . . . . 0.0 109.551 -173.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.8 m -109.85 128.23 55.2 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.965 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -132.91 160.58 36.59 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.273 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -92.52 126.71 37.73 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.129 0.49 . . . . 0.0 110.245 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.1 t -115.92 123.14 70.9 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 175.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.0 m -109.63 120.62 43.04 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-O 121.123 0.487 . . . . 0.0 109.774 178.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -124.59 110.44 14.44 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 63.63 25.74 14.39 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.491 0.716 . . . . 0.0 111.698 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.16 -13.38 67.47 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.431 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.4 mt -84.33 100.63 7.9 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 75.2 m -97.36 124.51 41.54 Favored 'General case' 0 C--N 1.291 -1.967 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.007 -178.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -128.18 148.57 50.61 Favored 'General case' 0 N--CA 1.412 -2.341 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -89.27 100.28 13.09 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -87.46 133.99 33.67 Favored 'General case' 0 C--N 1.289 -2.04 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.379 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.8 m -116.81 136.06 53.26 Favored 'General case' 0 C--N 1.281 -2.41 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -130.9 115.0 15.96 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.984 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 -178.926 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 94.6 mttt . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.985 0.422 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -103.2 119.5 38.99 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 -176.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 65.5 m -109.34 136.86 48.1 Favored 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 120.775 0.322 . . . . 0.0 110.611 -179.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -148.22 154.1 39.64 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.003 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -82.3 123.44 29.06 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 121.043 0.449 . . . . 0.0 111.38 -177.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 45.4 t -114.35 126.38 71.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.5 m -110.2 118.79 37.31 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 121.242 0.544 . . . . 0.0 109.585 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -132.96 109.94 9.92 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.037 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 62.21 26.0 15.58 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.106 0.563 . . . . 0.0 112.072 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.76 -15.36 59.71 Favored Glycine 0 N--CA 1.442 -0.93 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.1 mt -84.81 102.02 10.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 71.1 m -102.96 112.68 25.62 Favored 'General case' 0 C--N 1.289 -2.06 0 CA-C-O 121.202 0.525 . . . . 0.0 109.755 178.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -128.4 154.4 46.06 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.411 ' HG2' ' HB3' ' A' ' 3' ' ' CYS . 42.0 ttm180 -93.22 99.31 11.9 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -82.04 135.82 35.3 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.246 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.8 m -109.47 117.76 34.86 Favored 'General case' 0 C--N 1.279 -2.474 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.769 177.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -103.2 102.0 11.97 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 177.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.964 0 N-CA-C 109.229 -1.548 . . . . 0.0 109.229 -174.275 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.5 pttp . . . . . 0 N--CA 1.442 -0.872 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -83.64 113.39 20.81 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.2 m -109.1 129.01 55.47 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 177.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.42 ' CE1' HG22 ' A' ' 6' ' ' VAL . 6.0 p90 -148.68 164.42 34.39 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -80.04 123.36 27.77 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.373 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.517 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 37.3 t -116.67 121.36 67.5 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.172 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.2 m -109.95 118.99 37.91 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -126.76 113.96 17.33 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -177.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 64.69 19.89 11.96 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.425 0.69 . . . . 0.0 110.524 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.02 -9.37 75.34 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 -176.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.2 mt -86.39 110.02 19.54 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 60.5 m -101.42 130.88 47.73 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-O 121.065 0.459 . . . . 0.0 110.031 -177.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -141.52 150.36 42.06 Favored 'General case' 0 N--CA 1.422 -1.839 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 -86.99 103.69 15.58 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -96.25 130.89 43.22 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.5 m -109.23 109.05 19.88 Favored 'General case' 0 N--CA 1.417 -2.096 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 175.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -104.6 104.45 14.28 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.272 0 N-CA-C 107.927 -2.069 . . . . 0.0 107.927 -172.255 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.6 pttm . . . . . 0 N--CA 1.448 -0.572 0 CA-C-O 121.62 0.724 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -115.11 130.73 57.0 Favored 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.1 m -115.9 135.77 53.68 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -147.29 164.07 34.4 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.373 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 -81.24 127.26 32.5 Favored 'General case' 0 N--CA 1.426 -1.625 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.963 -177.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.6 t -121.6 127.17 75.53 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.061 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 176.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.1 m -112.61 128.9 56.5 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.315 0.578 . . . . 0.0 111.383 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -122.01 102.86 8.43 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.916 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 55.78 35.65 25.76 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.426 0.69 . . . . 0.0 111.967 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.41 -21.6 43.55 Favored Glycine 0 C--N 1.314 -0.659 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.346 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.9 mt -79.78 99.86 3.94 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.5 m -102.15 131.57 48.58 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.054 0.454 . . . . 0.0 110.198 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -138.81 160.34 39.92 Favored 'General case' 0 N--CA 1.421 -1.913 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.187 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -84.49 104.65 14.68 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 175.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -100.9 131.95 46.53 Favored 'General case' 0 C--N 1.286 -2.16 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 177.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.0 m -109.66 131.03 55.44 Favored 'General case' 0 C--N 1.286 -2.167 0 CA-C-O 121.632 0.729 . . . . 0.0 109.901 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -119.87 107.07 12.7 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.554 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.363 -179.544 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.3 pttp . . . . . 0 C--O 1.242 0.678 0 CA-C-O 121.059 0.457 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -105.65 119.71 39.82 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 78.4 m -109.95 128.18 55.22 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -134.96 160.55 37.93 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.81 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -87.12 123.03 31.73 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 120.632 0.254 . . . . 0.0 110.855 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 77.2 t -116.48 129.22 73.31 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 176.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.5 m -109.78 119.62 39.94 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.288 0.566 . . . . 0.0 109.894 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -131.91 109.46 10.1 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.153 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 63.14 28.46 16.0 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.916 0.886 . . . . 0.0 111.569 177.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.82 -19.44 53.33 Favored Glycine 0 C--O 1.244 0.769 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.3 mt -82.89 103.73 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.146 0 C-N-CA 123.615 0.766 . . . . 0.0 108.956 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 81.3 m -99.33 115.36 29.02 Favored 'General case' 0 C--N 1.281 -2.402 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 175.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -121.29 169.67 10.35 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.743 -176.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -92.17 99.16 12.01 Favored 'General case' 0 N--CA 1.426 -1.67 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 23.0 tptm -84.84 119.54 25.44 Favored 'General case' 0 C--N 1.289 -2.04 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.6 m -111.68 109.79 19.85 Favored 'General case' 0 C--N 1.277 -2.574 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.891 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -105.2 101.08 10.65 Favored 'General case' 0 N--CA 1.423 -1.818 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.193 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.07 -177.751 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 67.1 mttm . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -113.77 126.31 55.07 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -176.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 77.3 m -108.44 123.53 49.0 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 177.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -141.77 170.4 15.78 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.005 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -88.23 127.02 35.45 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 81.8 t -110.44 120.67 61.8 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.245 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 175.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.9 m -109.23 119.48 39.62 Favored 'General case' 0 N--CA 1.421 -1.91 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -125.18 105.26 9.01 Favored 'General case' 0 C--N 1.277 -2.566 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.654 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 64.51 23.51 12.92 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.095 0.958 . . . . 0.0 111.468 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.93 -11.1 58.92 Favored Glycine 0 N--CA 1.441 -1.011 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.113 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.1 mt -86.6 105.63 15.02 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 76.7 m -110.05 119.16 38.42 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-O 120.98 0.419 . . . . 0.0 111.258 -175.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -131.37 160.4 35.16 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -91.85 95.14 9.67 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -99.14 137.14 38.09 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.25 0.548 . . . . 0.0 110.047 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.8 m -109.25 122.16 46.72 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.727 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -116.24 117.87 31.21 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -0.829 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 -177.668 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.4 pttm . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 121.084 0.469 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -83.21 112.95 20.32 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.1 m -109.34 137.25 47.49 Favored 'General case' 0 C--N 1.283 -2.287 0 CA-C-O 121.177 0.513 . . . . 0.0 109.897 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -145.69 157.69 43.93 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.222 -175.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -96.04 125.44 40.58 Favored 'General case' 0 C--N 1.284 -2.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.938 -177.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 58.7 t -111.36 132.09 60.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 177.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.4 m -109.27 128.85 55.4 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-O 121.322 0.582 . . . . 0.0 110.156 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -139.06 107.39 5.8 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.005 179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 65.5 23.74 11.86 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.468 1.107 . . . . 0.0 111.705 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.33 -11.76 60.02 Favored Glycine 0 C--N 1.306 -1.1 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 -178.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.2 mt -88.68 99.71 9.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.289 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.2 m -97.05 115.85 28.2 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 176.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -121.49 160.9 23.25 Favored 'General case' 0 N--CA 1.418 -2.038 0 CA-C-O 120.87 0.367 . . . . 0.0 110.446 -175.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -91.52 99.72 12.6 Favored 'General case' 0 N--CA 1.417 -2.087 0 CA-C-N 115.143 -0.935 . . . . 0.0 108.678 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -96.26 138.78 33.36 Favored 'General case' 0 C--N 1.285 -2.205 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.0 m -119.78 131.5 55.35 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-O 121.54 0.686 . . . . 0.0 111.037 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -109.79 91.33 3.6 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 105.609 -1.997 . . . . 0.0 105.609 176.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.602 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 -172.441 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 N--CA 1.449 -0.491 0 CA-C-O 121.068 0.461 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.437 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 3.3 t90 -95.04 116.07 28.23 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.4 m -109.94 119.91 40.8 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 120.939 0.4 . . . . 0.0 110.744 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -129.63 158.92 37.99 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.373 -176.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -88.07 125.41 34.55 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.761 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.515 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 40.7 t -115.9 123.02 70.76 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.6 m -113.18 125.87 54.81 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -136.52 105.77 6.03 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 62.39 26.82 16.01 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.167 0.987 . . . . 0.0 111.106 178.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.27 -12.89 60.24 Favored Glycine 0 N--CA 1.44 -1.099 0 C-N-CA 120.395 -0.907 . . . . 0.0 111.941 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.0 mt -85.5 99.51 7.54 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.515 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.8 m -101.69 125.94 48.45 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 176.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -135.32 158.84 43.34 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -96.52 101.62 13.27 Favored 'General case' 0 N--CA 1.422 -1.864 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -90.06 134.74 34.07 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 2' ' ' TRP . 81.3 m -115.99 110.37 18.84 Favored 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.867 -178.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -91.17 105.25 17.67 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 175.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.55 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 -176.171 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.6 pttm . . . . . 0 N--CA 1.441 -0.914 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -86.19 110.4 19.56 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -178.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 58.0 m -108.97 125.89 52.52 Favored 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -140.1 162.14 35.95 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -86.01 124.39 32.4 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 60.0 t -107.77 121.76 61.16 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.17 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 176.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.4 m -109.34 119.2 38.74 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -143.94 118.97 10.02 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.374 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 60.94 27.64 17.48 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.926 0.89 . . . . 0.0 111.767 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.61 -7.26 77.54 Favored Glycine 0 N--CA 1.439 -1.138 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.83 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.7 mt -92.94 112.31 25.99 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -178.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 74.0 m -107.85 118.4 36.65 Favored 'General case' 0 C--N 1.282 -2.367 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 176.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -132.88 148.32 52.29 Favored 'General case' 0 N--CA 1.429 -1.516 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.095 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -84.13 98.97 10.2 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 62.0 tttp -93.67 134.26 36.17 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.647 -177.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.3 m -109.35 109.79 20.77 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.731 0.777 . . . . 0.0 110.644 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -96.11 91.17 5.81 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.906 0 N-CA-C 109.004 -1.638 . . . . 0.0 109.004 -174.956 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp . . . . . 0 N--CA 1.434 -1.261 0 CA-C-O 120.322 0.106 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -87.97 123.26 32.51 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -175.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 87.6 m -109.37 120.95 44.06 Favored 'General case' 0 C--N 1.284 -2.244 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 177.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -128.81 162.54 27.23 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.184 -176.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -91.28 126.03 36.23 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-O 121.006 0.431 . . . . 0.0 110.236 -177.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 61.0 t -111.38 124.94 68.62 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.817 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.4 m -109.67 119.43 39.37 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-O 121.37 0.605 . . . . 0.0 109.862 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -124.56 107.17 10.76 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.564 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 60.71 27.51 17.25 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.958 0.903 . . . . 0.0 111.344 177.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.16 -16.59 56.93 Favored Glycine 0 N--CA 1.435 -1.382 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.467 -178.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.4 mt -83.35 108.24 15.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.9 m -106.06 115.66 30.6 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 121.252 0.549 . . . . 0.0 110.674 -178.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.411 ' CD1' ' HB2' ' A' ' 15' ' ' LYS . 41.6 p90 -123.04 147.13 47.04 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.99 -178.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -85.21 98.15 10.32 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HB2' ' CD1' ' A' ' 13' ' ' TYR . 8.8 tmtm? -97.8 142.21 29.85 Favored 'General case' 0 C--N 1.282 -2.361 0 CA-C-N 114.887 -1.052 . . . . 0.0 108.282 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 61.7 m -113.49 141.08 47.55 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 120.304 -0.558 . . . . 0.0 111.997 -176.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -125.0 107.44 10.82 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 177.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.252 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 -175.364 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? . . . . . 0 C--O 1.241 0.608 0 CA-C-O 120.815 0.34 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 10.9 t-105 -108.82 126.96 53.6 Favored 'General case' 0 N--CA 1.433 -1.321 0 C-N-CA 119.778 -0.769 . . . . 0.0 109.594 -178.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.4 m -109.98 129.56 55.65 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-O 121.047 0.451 . . . . 0.0 110.175 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -133.56 167.45 20.45 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.752 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -101.87 123.69 46.23 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-O 121.026 0.441 . . . . 0.0 110.223 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 75.5 t -108.24 126.9 64.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.4 m -109.77 119.36 39.12 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-O 121.267 0.556 . . . . 0.0 109.671 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -127.56 110.17 12.45 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.629 -178.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 61.04 25.37 15.4 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.158 0.983 . . . . 0.0 112.494 177.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.73 -7.5 59.34 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.681 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.0 mt -94.7 110.48 23.87 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.214 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 79.6 m -104.51 121.14 42.85 Favored 'General case' 0 C--N 1.286 -2.196 0 CA-C-O 121.045 0.45 . . . . 0.0 109.87 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -126.92 152.8 46.64 Favored 'General case' 0 N--CA 1.429 -1.514 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.46 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -89.2 93.91 9.74 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -177.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -91.12 141.0 29.29 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.9 m -123.08 126.79 47.74 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-O 120.765 0.316 . . . . 0.0 110.773 -177.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -110.76 101.0 9.65 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.283 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.544 -179.304 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt . . . . . 0 CA--C 1.534 0.347 0 CA-C-O 121.206 0.527 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -116.78 111.62 20.0 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.284 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 71.0 m -108.98 126.59 53.26 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -143.29 166.53 24.48 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -178.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -93.25 133.88 36.01 Favored 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.469 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.5 t -119.79 133.98 64.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 176.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 71.1 m -109.29 119.16 38.64 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 174.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -120.76 111.89 18.16 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.897 -178.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 59.55 28.86 18.36 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.846 0.858 . . . . 0.0 111.061 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.81 -14.47 63.99 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.23 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.3 mt -88.12 106.12 16.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 62.1 m -95.84 128.75 42.99 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-O 120.673 0.273 . . . . 0.0 110.641 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -143.03 155.25 44.6 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -86.44 101.9 13.58 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -92.74 135.01 34.48 Favored 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.7 m -109.86 125.55 52.89 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.79 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -110.14 89.47 3.03 Favored 'General case' 0 N--CA 1.421 -1.91 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 175.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.815 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.006 -176.782 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.7 pttm . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 121.117 0.484 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -91.2 105.84 18.09 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.4 m -109.05 124.08 50.18 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-O 121.196 0.522 . . . . 0.0 110.164 -177.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -132.0 152.22 51.27 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.856 -177.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -84.54 126.27 33.16 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 39.6 t -113.83 127.02 71.41 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.256 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 73.0 m -110.25 120.01 41.06 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 176.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -123.08 102.66 8.1 Favored 'General case' 0 N--CA 1.421 -1.898 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.76 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 61.28 32.31 19.31 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.699 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.51 -7.72 63.78 Favored Glycine 0 C--N 1.314 -0.644 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.954 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.2 mt -96.21 101.91 12.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.5 m -96.55 126.06 41.47 Favored 'General case' 0 C--N 1.287 -2.113 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -134.72 152.33 51.68 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -95.01 102.08 13.87 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -89.79 138.09 31.78 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 87.0 m -116.48 115.94 26.74 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.036 0.446 . . . . 0.0 111.897 -178.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -94.15 94.63 8.48 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 173.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.89 0 N-CA-C 108.62 -1.792 . . . . 0.0 108.62 -172.653 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 94.4 mttt . . . . . 0 N--CA 1.448 -0.568 0 CA-C-O 120.906 0.384 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.8 t-105 -102.71 121.27 42.09 Favored 'General case' 0 N--CA 1.433 -1.323 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.655 -173.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 97.4 m -115.38 129.42 56.58 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 174.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -144.35 169.92 17.0 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -92.85 130.83 38.32 Favored 'General case' 0 N--CA 1.422 -1.836 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 41.6 t -116.52 116.04 50.97 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.096 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 177.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.9 m -108.96 119.33 39.23 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 175.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -141.49 113.48 7.93 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.995 -177.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 65.95 20.46 11.32 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.275 1.03 . . . . 0.0 111.784 178.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.37 -10.17 59.52 Favored Glycine 0 N--CA 1.436 -1.308 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.394 -178.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.3 mt -89.55 105.52 16.12 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 76.1 m -104.14 124.28 48.79 Favored 'General case' 0 C--N 1.287 -2.139 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 177.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -138.38 156.65 47.4 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 120.758 0.313 . . . . 0.0 110.247 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -90.8 100.81 13.6 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -93.3 131.77 38.12 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.5 m -115.4 132.83 56.5 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.01 177.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -129.5 92.51 3.36 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.126 0 C-N-CA 121.466 -0.397 . . . . 0.0 112.408 178.112 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp . . . . . 0 N--CA 1.442 -0.841 0 CA-C-O 120.652 0.263 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 11.0 t-105 -93.21 125.82 38.01 Favored 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.172 -174.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.9 m -115.67 127.01 54.85 Favored 'General case' 0 C--N 1.284 -2.278 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -142.49 165.28 27.84 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -176.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -102.48 124.71 48.53 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.175 -177.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 34.7 t -107.24 134.2 49.67 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.8 m -112.65 119.38 37.9 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.469 0.652 . . . . 0.0 109.696 177.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -129.51 111.21 12.52 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 63.15 24.14 14.25 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.822 0.849 . . . . 0.0 111.216 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.22 -12.06 65.35 Favored Glycine 0 CA--C 1.504 -0.594 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.3 mt -85.76 106.51 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.23 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 79.6 m -101.59 124.79 47.83 Favored 'General case' 0 C--N 1.287 -2.14 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -135.04 146.1 48.64 Favored 'General case' 0 N--CA 1.424 -1.732 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.662 -176.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -84.69 100.16 11.29 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -94.55 137.54 33.55 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.1 m -114.72 133.33 55.98 Favored 'General case' 0 C--N 1.287 -2.118 0 CA-C-O 121.278 0.561 . . . . 0.0 110.713 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -121.08 100.87 7.31 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.516 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -178.505 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 66.1 mttm . . . . . 0 N--CA 1.435 -1.191 0 N-CA-C 111.482 0.179 . . . . 0.0 111.482 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -112.8 132.75 55.12 Favored 'General case' 0 N--CA 1.427 -1.611 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.167 -173.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 70.9 m -117.6 119.64 35.62 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 175.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -145.19 163.62 33.85 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -177.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -80.0 121.38 25.42 Favored 'General case' 0 N--CA 1.422 -1.844 0 CA-C-O 121.248 0.547 . . . . 0.0 109.625 178.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 96.7 t -109.62 130.04 63.4 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.351 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 94.4 m -109.73 119.04 38.14 Favored 'General case' 0 C--N 1.287 -2.117 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 175.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -126.27 103.23 7.55 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.917 -177.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 62.79 29.37 16.69 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.841 0.856 . . . . 0.0 110.837 177.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.37 -15.82 58.53 Favored Glycine 0 C--N 1.311 -0.809 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.0 mt -85.08 104.21 12.93 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 86.4 m -102.4 121.36 42.16 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 121.163 0.506 . . . . 0.0 109.958 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -142.25 154.84 45.08 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.068 -176.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -84.26 101.98 12.32 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -103.62 136.53 43.15 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.574 -177.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.6 m -108.76 128.25 54.72 Favored 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -127.88 101.66 6.43 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.732 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.3 179.963 . . . . . . . . 0 0 . 1 stop_ save_