data_5mxt_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5mxt _Structure_validation_residue.Date_analyzed 2017-03-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.5 t80 . . . . . 0 CA--C 1.531 0.223 0 N-CA-C 118.785 2.883 . . . . 0.0 118.785 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -66.27 -15.82 63.52 Favored 'General case' 0 CA--C 1.526 0.047 0 O-C-N 121.538 -0.726 . . . . 0.0 111.097 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -13.41 60.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.929 0.492 . . . . 0.0 111.912 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.9 tp -65.61 -28.16 68.92 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 117.938 0.335 . . . . 0.0 110.779 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 t -66.83 -17.7 65.01 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 122.332 -0.23 . . . . 0.0 111.401 -178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -74.3 -27.71 60.85 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.573 0.349 . . . . 0.0 110.205 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 70.9 mt -79.05 -32.45 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -76.94 -34.23 57.64 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.192 -0.318 . . . . 0.0 111.295 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.2 p -71.67 -23.75 61.72 Favored 'General case' 0 N--CA 1.457 -0.117 0 O-C-N 121.995 -0.441 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.4 ttt85 -65.9 -28.93 69.31 Favored 'General case' 0 CA--C 1.527 0.07 0 C-N-CA 122.357 0.263 . . . . 0.0 110.641 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -92.31 -33.34 14.66 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.176 0.59 . . . . 0.0 109.929 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -74.92 -39.18 61.54 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -174.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 p30 . . . . . 0 CA--C 1.53 0.202 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 179.64 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 t80 . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 119.085 2.994 . . . . 0.0 119.085 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -61.12 -21.64 63.91 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 121.572 -0.705 . . . . 0.0 111.454 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.5 -6.21 44.97 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.64 -27.2 69.06 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 118.55 0.614 . . . . 0.0 109.722 175.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p -63.46 -15.87 59.01 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.532 0.333 . . . . 0.0 111.289 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -70.79 -30.74 67.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.378 0.271 . . . . 0.0 110.427 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mp -76.06 -38.78 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -71.89 -23.53 61.51 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.232 0.213 . . . . 0.0 110.785 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -70.66 -27.29 63.91 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 117.663 0.211 . . . . 0.0 110.946 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -79.59 -23.54 42.65 Favored 'General case' 0 C--N 1.339 0.13 0 O-C-N 122.252 -0.28 . . . . 0.0 110.792 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -80.5 -28.74 37.39 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 122.679 0.392 . . . . 0.0 109.961 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -79.45 -24.43 42.44 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.152 0.581 . . . . 0.0 111.189 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.4 t0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 178.392 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.3 t80 . . . . . 0 CA--C 1.534 0.359 0 N-CA-C 118.068 2.618 . . . . 0.0 118.068 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -67.73 -13.89 62.48 Favored 'General case' 0 C--N 1.338 0.095 0 O-C-N 121.932 -0.48 . . . . 0.0 111.795 -178.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.9 mmm-85 -132.77 -20.67 2.24 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 123.387 0.675 . . . . 0.0 112.75 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 66.3 tp -72.36 -31.49 65.65 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.581 0.628 . . . . 0.0 110.523 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.7 p -70.38 -13.71 62.26 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 121.99 0.116 . . . . 0.0 111.201 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -85.24 -36.92 20.61 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 122.741 0.416 . . . . 0.0 110.896 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 93.6 mt -65.49 -26.55 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -172.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -67.38 -23.08 65.54 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.436 0.562 . . . . 0.0 111.55 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.8 p -68.31 -14.86 63.3 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 121.781 -0.574 . . . . 0.0 110.899 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -80.2 -7.72 59.1 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 123.143 0.577 . . . . 0.0 112.411 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 tt -123.97 -21.25 5.14 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.459 0.704 . . . . 0.0 110.012 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -88.51 -2.14 58.44 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 122.841 0.456 . . . . 0.0 111.69 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.5 p30 . . . . . 0 CA--C 1.53 0.187 0 N-CA-C 114.892 1.442 . . . . 0.0 114.892 178.387 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.255 5.3 t80 . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 118.593 2.812 . . . . 0.0 118.593 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -66.23 -20.55 66.15 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 121.35 -0.844 . . . . 0.0 110.858 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -78.24 -27.52 47.66 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 117.735 0.243 . . . . 0.0 111.652 174.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.1 mt -73.42 -41.68 62.99 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 175.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -60.74 -22.82 64.41 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.719 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 -76.77 -40.29 48.75 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.457 0.303 . . . . 0.0 110.376 176.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.8 mt -69.76 -44.85 78.79 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 C-N-CA 122.402 0.281 . . . . 0.0 110.815 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -67.68 -21.14 65.35 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.0 t -67.14 -24.48 65.9 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 118.283 0.492 . . . . 0.0 110.667 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -72.9 -24.53 60.85 Favored 'General case' 0 C--N 1.339 0.147 0 O-C-N 122.428 -0.17 . . . . 0.0 110.878 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tt -84.5 -30.02 25.52 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.726 0.41 . . . . 0.0 109.929 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -79.63 -30.42 41.33 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 122.153 0.181 . . . . 0.0 111.361 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 . . . . . 0 CA--C 1.529 0.152 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 175.122 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.256 6.6 t80 . . . . . 0 CA--C 1.53 0.184 0 N-CA-C 118.656 2.835 . . . . 0.0 118.656 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -64.17 -20.45 66.01 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.308 -0.87 . . . . 0.0 111.001 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -80.06 -19.39 47.65 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 174.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.2 mt -83.09 -43.38 16.33 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 175.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t -58.78 -25.81 63.45 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 175.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -70.59 -43.82 68.58 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.695 0.398 . . . . 0.0 110.799 176.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 91.7 mt -69.43 -42.71 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.118 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -70.45 -26.47 63.67 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 118.114 0.415 . . . . 0.0 111.844 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 t -65.95 -24.4 66.8 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 118.462 0.574 . . . . 0.0 111.225 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.3 mtp-105 -71.81 -7.55 48.96 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tt -120.19 -20.24 7.43 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.571 0.748 . . . . 0.0 110.008 176.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -96.37 -6.9 36.52 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.1 p30 . . . . . 0 CA--C 1.531 0.232 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 175.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.255 43.3 m-85 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 116.868 2.173 . . . . 0.0 116.868 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.0 p80 -79.22 -19.64 50.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.538 176.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -85.29 31.62 0.57 Allowed 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.431 0.692 . . . . 0.0 110.938 176.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.8 tp -55.72 -28.49 56.06 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 t -64.76 -22.06 66.9 Favored 'General case' 0 C--O 1.232 0.174 0 O-C-N 121.945 -0.472 . . . . 0.0 111.279 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -76.81 -32.75 57.83 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.05 0.54 . . . . 0.0 110.221 178.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 59.8 mt -69.35 -34.67 63.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 O-C-N 122.139 -0.35 . . . . 0.0 110.075 -176.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -69.93 -26.01 63.94 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 122.101 -0.374 . . . . 0.0 110.902 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.1 t -77.98 -33.98 51.16 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -71.07 -25.68 62.73 Favored 'General case' 0 C--N 1.337 0.058 0 C-N-CA 122.353 0.261 . . . . 0.0 110.732 176.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -77.34 -30.87 54.11 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.685 0.394 . . . . 0.0 110.162 174.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -79.16 -37.42 38.47 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.496 0.318 . . . . 0.0 110.651 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 177.073 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.254 9.5 t80 . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 118.882 2.919 . . . . 0.0 118.882 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -62.4 -17.43 59.18 Favored 'General case' 0 C--N 1.339 0.133 0 O-C-N 121.554 -0.716 . . . . 0.0 111.448 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -67.6 -15.96 63.92 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.1 -36.24 79.46 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.52 0.6 . . . . 0.0 109.676 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m -66.86 -8.79 31.51 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.85 0.46 . . . . 0.0 111.307 176.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -99.01 -33.98 10.6 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.027 0.531 . . . . 0.0 110.916 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -75.42 -44.2 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 122.386 0.275 . . . . 0.0 110.458 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -71.94 -25.48 61.91 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.6 p -80.09 -30.16 39.15 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 118.305 0.502 . . . . 0.0 110.259 177.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.7 ttt85 -72.96 -31.23 64.41 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -74.03 -29.01 61.7 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.836 0.454 . . . . 0.0 110.065 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -78.27 -29.92 48.25 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 122.315 0.246 . . . . 0.0 110.818 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 177.886 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.263 41.6 m-85 . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 116.385 1.994 . . . . 0.0 116.385 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -76.78 -18.45 58.43 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.792 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -80.36 21.85 0.59 Allowed 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 123.372 0.669 . . . . 0.0 111.843 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 67.6 tp -57.54 -27.82 62.95 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 122.012 -0.43 . . . . 0.0 111.358 -176.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.5 p -67.64 -17.94 64.78 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -76.28 -29.58 57.46 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 122.748 0.419 . . . . 0.0 110.445 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.1 mt -74.13 -38.24 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 O-C-N 122.359 -0.213 . . . . 0.0 110.502 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -73.29 -30.89 63.71 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.7 p -75.87 -24.84 55.75 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 118.221 0.464 . . . . 0.0 110.831 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -72.25 -32.54 66.77 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 tt -76.69 -29.51 56.34 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 122.565 0.346 . . . . 0.0 110.104 177.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -75.15 -28.5 60.14 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 122.365 0.266 . . . . 0.0 110.804 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 114.949 1.462 . . . . 0.0 114.949 177.791 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.262 44.2 m-85 . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -77.27 -15.77 59.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.711 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -70.38 -10.62 59.55 Favored 'General case' 0 C--O 1.228 -0.049 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.64 -44.4 74.26 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 118.372 0.533 . . . . 0.0 109.856 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 t -68.93 -17.12 63.91 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 120.411 0.148 . . . . 0.0 111.324 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -71.63 -34.66 69.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.1 mt -71.1 -36.78 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -71.25 -28.92 64.5 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 122.189 -0.319 . . . . 0.0 110.399 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.2 m -74.13 -30.51 62.33 Favored 'General case' 0 C--N 1.338 0.106 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -73.47 -32.65 64.44 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 122.64 0.376 . . . . 0.0 110.273 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -73.6 -29.36 62.34 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.873 0.469 . . . . 0.0 110.437 176.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -77.46 -28.83 52.47 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.494 0.318 . . . . 0.0 110.66 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 . . . . . 0 CA--C 1.531 0.248 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 177.554 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.263 44.2 m-85 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -77.45 -20.07 55.03 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.843 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.38 10.39 4.67 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.197 0.599 . . . . 0.0 112.113 178.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.5 tp -59.9 -27.1 66.45 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.556 0.343 . . . . 0.0 111.415 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.8 p -66.22 -12.74 58.02 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.345 0.258 . . . . 0.0 111.519 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -67.86 -26.54 66.08 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 122.705 0.402 . . . . 0.0 110.801 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 70.0 mt -85.74 -35.51 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 O-C-N 122.406 -0.184 . . . . 0.0 110.526 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -75.43 -23.02 56.9 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.3 p -67.6 -21.7 65.39 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.409 0.549 . . . . 0.0 110.378 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -74.06 -27.36 60.88 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 122.469 0.308 . . . . 0.0 110.667 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -81.26 -30.23 34.15 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -77.26 -21.88 53.01 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 116.839 -0.164 . . . . 0.0 111.013 178.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 . . . . . 0 CA--C 1.53 0.176 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 176.739 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.273 46.2 m-85 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -82.45 -12.48 57.82 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.38 0.672 . . . . 0.0 111.23 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -12.15 49.07 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.424 0.69 . . . . 0.0 111.372 -179.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 61.9 tp -63.28 -25.2 68.21 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.653 0.381 . . . . 0.0 110.669 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -62.61 -19.68 64.0 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 122.307 -0.245 . . . . 0.0 111.468 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -66.78 -30.34 70.52 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.946 -0.471 . . . . 0.0 110.201 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.7 mm -76.53 -39.17 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -73.8 -19.99 60.6 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.593 0.357 . . . . 0.0 111.213 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -67.67 -20.38 65.3 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 117.741 0.246 . . . . 0.0 111.245 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.7 mtp-105 -76.32 -27.07 56.39 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 122.386 0.274 . . . . 0.0 110.762 177.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -85.23 -26.69 26.55 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 177.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -76.47 -21.72 55.49 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.025 0.53 . . . . 0.0 111.276 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 179.047 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 t80 . . . . . 0 CA--C 1.534 0.359 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -65.6 -17.1 64.34 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 122.048 -0.407 . . . . 0.0 111.626 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 35.2 mmt-85 -67.36 -17.98 64.97 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 38.2 mt -75.18 -46.09 36.39 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.3 t -60.97 -24.26 65.96 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.5 0.19 . . . . 0.0 110.658 178.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -71.19 -44.87 64.58 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 122.817 0.447 . . . . 0.0 110.823 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -76.06 -40.45 37.44 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.786 -178.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -67.8 -21.2 65.24 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.8 m -71.39 -30.4 66.08 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 118.078 0.399 . . . . 0.0 110.843 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -79.5 -24.46 42.26 Favored 'General case' 0 N--CA 1.457 -0.097 0 O-C-N 122.257 -0.277 . . . . 0.0 111.076 177.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tt -76.23 -30.74 58.05 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -77.65 -26.08 50.13 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 122.576 0.35 . . . . 0.0 110.761 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.0 t0 . . . . . 0 CA--C 1.535 0.388 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.689 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.8 t80 . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -66.76 -14.39 62.54 Favored 'General case' 0 C--N 1.339 0.152 0 O-C-N 121.636 -0.665 . . . . 0.0 110.812 -177.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -16.24 59.97 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.455 0.702 . . . . 0.0 111.259 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.5 -27.44 67.78 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.01 0.368 . . . . 0.0 110.627 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -69.94 -13.89 62.46 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 122.287 0.235 . . . . 0.0 111.565 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -74.07 -30.9 62.61 Favored 'General case' 0 C--N 1.338 0.088 0 C-N-CA 122.333 0.253 . . . . 0.0 110.643 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 91.2 mt -66.21 -30.74 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 122.526 0.331 . . . . 0.0 110.977 -173.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -72.46 -20.2 61.43 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 122.425 0.29 . . . . 0.0 111.756 -178.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.7 p -67.74 -14.54 63.03 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 118.143 0.429 . . . . 0.0 111.071 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -77.4 -13.85 59.84 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.389 0.676 . . . . 0.0 112.164 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -126.02 -20.02 4.65 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 122.587 0.355 . . . . 0.0 110.786 178.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -74.02 -14.9 61.08 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.235 0.214 . . . . 0.0 111.202 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.8 p30 . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 178.787 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.26 47.0 m-85 . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -82.55 -11.92 58.1 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.338 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -12.61 55.92 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 123.556 0.743 . . . . 0.0 111.133 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 66.3 tp -63.41 -24.8 67.99 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.11 -0.369 . . . . 0.0 110.608 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 t -64.05 -18.05 63.97 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 117.584 0.174 . . . . 0.0 111.431 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -67.7 -28.92 68.08 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 122.062 -0.399 . . . . 0.0 110.23 178.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mp -80.44 -39.76 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -74.92 -33.89 62.05 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.14 -0.35 . . . . 0.0 111.316 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.8 p -74.45 -19.58 60.34 Favored 'General case' 0 C--N 1.333 -0.114 0 O-C-N 122.333 -0.229 . . . . 0.0 111.039 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -72.91 -33.83 66.23 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 110.17 -0.308 . . . . 0.0 110.17 176.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -77.55 -28.76 51.93 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -73.09 -23.73 60.56 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.893 0.477 . . . . 0.0 111.16 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.0 t0 . . . . . 0 CA--C 1.537 0.475 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.629 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.321 13.2 t80 . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 120.812 3.634 . . . . 0.0 120.812 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -67.04 -15.05 63.48 Favored 'General case' 0 N--CA 1.457 -0.111 0 O-C-N 121.394 -0.816 . . . . 0.0 110.826 -174.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.21 -15.67 62.71 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.5 0.72 . . . . 0.0 111.53 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.2 tp -64.59 -27.17 68.77 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-N 117.79 0.268 . . . . 0.0 110.672 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.4 p -64.73 -14.62 59.39 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 122.294 -0.254 . . . . 0.0 111.523 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -79.49 -33.52 42.13 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.083 -0.386 . . . . 0.0 110.709 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.7 mt -71.03 -30.73 42.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 122.228 0.211 . . . . 0.0 111.145 -172.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -70.6 -17.58 62.9 Favored 'General case' 0 CA--C 1.529 0.138 0 O-C-N 121.997 -0.439 . . . . 0.0 111.882 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.1 p -66.91 -20.88 65.99 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.291 0.496 . . . . 0.0 110.401 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.0 mtp-105 -74.61 -24.47 58.87 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 122.73 0.412 . . . . 0.0 111.46 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -90.25 -34.59 15.72 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -80.27 -16.89 53.66 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 112.557 0.576 . . . . 0.0 112.557 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.8 t0 . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 121.004 0.431 . . . . 0.0 112.109 179.366 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.9 t80 . . . . . 0 CA--C 1.532 0.28 0 N-CA-C 118.988 2.958 . . . . 0.0 118.988 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -61.96 -18.51 60.63 Favored 'General case' 0 N--CA 1.461 0.095 0 O-C-N 121.665 -0.647 . . . . 0.0 111.389 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.9 mmt-85 -66.44 -14.74 62.62 Favored 'General case' 0 CA--C 1.523 -0.077 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.25 -34.76 75.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 118.652 0.66 . . . . 0.0 110.119 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.9 t -66.04 -14.96 62.6 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 122.557 -0.089 . . . . 0.0 110.947 177.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -88.38 -40.61 13.41 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.625 0.37 . . . . 0.0 110.584 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.5 mt -69.99 -42.01 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 122.249 0.22 . . . . 0.0 110.993 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -71.33 -35.24 71.13 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 122.159 -0.338 . . . . 0.0 111.117 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.2 t -69.56 -12.93 62.05 Favored 'General case' 0 C--O 1.233 0.188 0 O-C-N 121.99 -0.444 . . . . 0.0 111.52 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -71.6 -18.46 62.22 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 123.173 0.589 . . . . 0.0 111.879 -177.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -146.59 -37.72 0.23 Allowed 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 117.663 0.21 . . . . 0.0 111.371 -177.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -72.86 -14.37 61.48 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -173.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 . . . . . 0 CA--C 1.53 0.177 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 176.352 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.274 46.3 m-85 . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 116.936 2.199 . . . . 0.0 116.936 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -135.97 -15.39 1.77 Allowed 'General case' 0 C--N 1.335 -0.041 0 C-N-CA 123.442 0.697 . . . . 0.0 110.078 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.6 tpp85 -79.86 -7.38 58.69 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.452 1.101 . . . . 0.0 111.887 -175.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -60.05 -27.27 66.81 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.942 -0.474 . . . . 0.0 110.807 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 m -64.22 -13.05 46.53 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -75.55 -33.26 60.66 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 122.01 -0.431 . . . . 0.0 110.475 177.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mp -70.36 -35.25 61.59 Favored 'Isoleucine or valine' 0 C--O 1.231 0.131 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -175.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -70.38 -14.33 62.52 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.4 p -69.63 -23.34 63.48 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.131 0.423 . . . . 0.0 110.233 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.9 mtp-105 -74.37 -25.15 59.32 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 122.321 0.248 . . . . 0.0 110.899 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -85.37 -28.58 25.09 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -74.45 -28.54 61.09 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 122.506 0.322 . . . . 0.0 110.668 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 . . . . . 0 CA--C 1.533 0.304 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 177.66 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.262 43.3 m-85 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 116.591 2.071 . . . . 0.0 116.591 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -76.19 -18.25 59.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.722 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.54 11.16 3.92 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.147 0.579 . . . . 0.0 112.459 178.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.3 tp -57.84 -31.76 66.96 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.652 0.381 . . . . 0.0 111.111 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.5 m -63.43 -12.16 28.99 Favored 'General case' 0 C--O 1.231 0.091 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -74.66 -33.72 62.56 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 117.951 0.341 . . . . 0.0 110.422 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 53.6 mt -71.5 -30.86 40.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 O-C-N 122.289 -0.257 . . . . 0.0 110.467 -176.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -69.27 -0.76 6.62 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.465 0.706 . . . . 0.0 112.34 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -138.14 -7.68 1.57 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 178.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.3 ttt-85 -77.28 -28.97 53.6 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 117.97 0.35 . . . . 0.0 111.449 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 tt -153.23 -26.15 0.15 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.711 0.404 . . . . 0.0 111.737 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -69.22 -16.23 63.56 Favored 'General case' 0 C--N 1.34 0.178 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 t0 . . . . . 0 N--CA 1.455 -0.194 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 179.01 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.1 t80 . . . . . 0 CA--C 1.535 0.402 0 N-CA-C 118.868 2.914 . . . . 0.0 118.868 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -66.07 -13.84 60.7 Favored 'General case' 0 N--CA 1.462 0.173 0 O-C-N 121.754 -0.591 . . . . 0.0 111.058 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -13.54 58.64 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.245 0.618 . . . . 0.0 111.488 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.0 tt -65.12 -25.05 67.6 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 118.019 0.372 . . . . 0.0 110.98 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 m -68.99 -11.86 61.16 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 122.75 0.42 . . . . 0.0 111.918 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -85.48 -20.52 29.59 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.68 0.392 . . . . 0.0 111.177 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.7 mt -75.0 -21.49 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 122.589 0.355 . . . . 0.0 111.415 -173.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -62.49 -24.76 67.64 Favored 'General case' 0 CA--C 1.529 0.163 0 O-C-N 121.751 -0.593 . . . . 0.0 112.143 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.3 p -77.22 -2.34 34.12 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.778 -0.576 . . . . 0.0 111.424 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -122.45 -23.05 5.3 Favored 'General case' 0 C--N 1.338 0.093 0 C-N-CA 123.582 0.753 . . . . 0.0 110.571 175.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -85.74 -19.38 30.89 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.503 0.721 . . . . 0.0 110.895 176.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -137.06 -24.43 1.11 Allowed 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 122.678 0.391 . . . . 0.0 111.66 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 t0 . . . . . 0 CA--C 1.535 0.402 0 CA-C-O 121.981 0.896 . . . . 0.0 113.24 -179.611 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.7 t80 . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 118.861 2.911 . . . . 0.0 118.861 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -61.73 -17.7 56.84 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 121.846 -0.534 . . . . 0.0 111.609 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -67.2 -13.24 61.77 Favored 'General case' 0 N--CA 1.458 -0.048 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 176.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.7 -42.67 95.12 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 t -77.01 -8.63 57.76 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.465 0.306 . . . . 0.0 111.363 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -81.21 -23.46 38.1 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 122.587 0.355 . . . . 0.0 110.794 -179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.3 mt -75.45 -27.41 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 122.935 0.494 . . . . 0.0 111.104 -178.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -66.95 150.52 49.11 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 122.07 -0.394 . . . . 0.0 110.221 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.9 m 51.24 26.57 3.03 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 124.131 0.972 . . . . 0.0 112.963 -176.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.0 ttt85 -141.92 -34.7 0.46 Allowed 'General case' 0 C--N 1.34 0.153 0 C-N-CA 123.169 0.588 . . . . 0.0 110.116 176.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 tt -82.23 -18.71 41.61 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.823 0.449 . . . . 0.0 110.92 173.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -127.93 0.26 5.96 Favored 'General case' 0 C--N 1.34 0.186 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -177.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.6 t0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 176.789 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 76.1 t90 . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -51.41 -17.63 0.82 Allowed 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 118.785 2.883 . . . . 0.0 118.785 -174.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -66.27 -15.82 63.52 Favored 'General case' 0 CA--C 1.526 0.047 0 O-C-N 121.538 -0.726 . . . . 0.0 111.097 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -13.41 60.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.929 0.492 . . . . 0.0 111.912 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.9 tp -65.61 -28.16 68.92 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 117.938 0.335 . . . . 0.0 110.779 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 t -66.83 -17.7 65.01 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 122.332 -0.23 . . . . 0.0 111.401 -178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -74.3 -27.71 60.85 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.573 0.349 . . . . 0.0 110.205 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 70.9 mt -79.05 -32.45 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -76.94 -34.23 57.64 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.192 -0.318 . . . . 0.0 111.295 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.2 p -71.67 -23.75 61.72 Favored 'General case' 0 N--CA 1.457 -0.117 0 O-C-N 121.995 -0.441 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.4 ttt85 -65.9 -28.93 69.31 Favored 'General case' 0 CA--C 1.527 0.07 0 C-N-CA 122.357 0.263 . . . . 0.0 110.641 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -92.31 -33.34 14.66 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.176 0.59 . . . . 0.0 109.929 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -74.92 -39.18 61.54 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -174.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 p30 -151.61 7.71 0.5 Allowed 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.066 0 O-C-N 121.669 -0.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 79.8 t90 . . . . . 0 N--CA 1.47 0.553 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -49.74 -19.0 0.55 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 119.085 2.994 . . . . 0.0 119.085 -174.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -61.12 -21.64 63.91 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 121.572 -0.705 . . . . 0.0 111.454 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.5 -6.21 44.97 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.64 -27.2 69.06 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 118.55 0.614 . . . . 0.0 109.722 175.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p -63.46 -15.87 59.01 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.532 0.333 . . . . 0.0 111.289 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -70.79 -30.74 67.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.378 0.271 . . . . 0.0 110.427 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mp -76.06 -38.78 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -71.89 -23.53 61.51 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.232 0.213 . . . . 0.0 110.785 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -70.66 -27.29 63.91 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 117.663 0.211 . . . . 0.0 110.946 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -79.59 -23.54 42.65 Favored 'General case' 0 C--N 1.339 0.13 0 O-C-N 122.252 -0.28 . . . . 0.0 110.792 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -80.5 -28.74 37.39 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 122.679 0.392 . . . . 0.0 109.961 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -79.45 -24.43 42.44 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.152 0.581 . . . . 0.0 111.189 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -67.61 116.1 7.94 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.174 0 O-C-N 122.173 -0.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 75.2 t90 . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -50.17 -24.19 2.64 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 118.068 2.618 . . . . 0.0 118.068 -175.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -67.73 -13.89 62.48 Favored 'General case' 0 C--N 1.338 0.095 0 O-C-N 121.932 -0.48 . . . . 0.0 111.795 -178.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.9 mmm-85 -132.77 -20.67 2.24 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 123.387 0.675 . . . . 0.0 112.75 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 66.3 tp -72.36 -31.49 65.65 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.581 0.628 . . . . 0.0 110.523 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.7 p -70.38 -13.71 62.26 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 121.99 0.116 . . . . 0.0 111.201 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -85.24 -36.92 20.61 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 122.741 0.416 . . . . 0.0 110.896 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 93.6 mt -65.49 -26.55 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -172.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -67.38 -23.08 65.54 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.436 0.562 . . . . 0.0 111.55 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.8 p -68.31 -14.86 63.3 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 121.781 -0.574 . . . . 0.0 110.899 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -80.2 -7.72 59.1 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 123.143 0.577 . . . . 0.0 112.411 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 tt -123.97 -21.25 5.14 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.459 0.704 . . . . 0.0 110.012 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -88.51 -2.14 58.44 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 122.841 0.456 . . . . 0.0 111.69 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.5 p30 -73.3 -1.74 19.21 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 114.892 1.442 . . . . 0.0 114.892 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.178 0 O-C-N 122.121 -0.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 76.0 t90 . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.255 5.3 t80 -51.52 -17.45 0.82 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 118.593 2.812 . . . . 0.0 118.593 -174.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -66.23 -20.55 66.15 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 121.35 -0.844 . . . . 0.0 110.858 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -78.24 -27.52 47.66 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 117.735 0.243 . . . . 0.0 111.652 174.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.1 mt -73.42 -41.68 62.99 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 175.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -60.74 -22.82 64.41 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.719 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 -76.77 -40.29 48.75 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.457 0.303 . . . . 0.0 110.376 176.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.8 mt -69.76 -44.85 78.79 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 C-N-CA 122.402 0.281 . . . . 0.0 110.815 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -67.68 -21.14 65.35 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.0 t -67.14 -24.48 65.9 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 118.283 0.492 . . . . 0.0 110.667 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -72.9 -24.53 60.85 Favored 'General case' 0 C--N 1.339 0.147 0 O-C-N 122.428 -0.17 . . . . 0.0 110.878 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tt -84.5 -30.02 25.52 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.726 0.41 . . . . 0.0 109.929 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -79.63 -30.42 41.33 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 122.153 0.181 . . . . 0.0 111.361 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -76.2 2.07 14.13 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 175.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.218 0 O-C-N 121.961 -0.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 74.0 t90 . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.256 6.6 t80 -51.87 -18.8 1.43 Allowed 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 118.656 2.835 . . . . 0.0 118.656 -174.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -64.17 -20.45 66.01 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.308 -0.87 . . . . 0.0 111.001 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -80.06 -19.39 47.65 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 174.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.2 mt -83.09 -43.38 16.33 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 175.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t -58.78 -25.81 63.45 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 175.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -70.59 -43.82 68.58 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.695 0.398 . . . . 0.0 110.799 176.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 91.7 mt -69.43 -42.71 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.118 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -70.45 -26.47 63.67 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 118.114 0.415 . . . . 0.0 111.844 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 t -65.95 -24.4 66.8 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 118.462 0.574 . . . . 0.0 111.225 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.3 mtp-105 -71.81 -7.55 48.96 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tt -120.19 -20.24 7.43 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.571 0.748 . . . . 0.0 110.008 176.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -96.37 -6.9 36.52 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.1 p30 -68.52 -3.14 10.54 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 175.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.179 0 O-C-N 122.035 -0.416 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 82.8 t90 . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 110.623 -0.14 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.255 43.3 m-85 -77.38 101.2 6.24 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 116.868 2.173 . . . . 0.0 116.868 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.0 p80 -79.22 -19.64 50.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.538 176.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -85.29 31.62 0.57 Allowed 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.431 0.692 . . . . 0.0 110.938 176.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.8 tp -55.72 -28.49 56.06 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 t -64.76 -22.06 66.9 Favored 'General case' 0 C--O 1.232 0.174 0 O-C-N 121.945 -0.472 . . . . 0.0 111.279 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -76.81 -32.75 57.83 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.05 0.54 . . . . 0.0 110.221 178.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 59.8 mt -69.35 -34.67 63.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 O-C-N 122.139 -0.35 . . . . 0.0 110.075 -176.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -69.93 -26.01 63.94 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 122.101 -0.374 . . . . 0.0 110.902 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.1 t -77.98 -33.98 51.16 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -71.07 -25.68 62.73 Favored 'General case' 0 C--N 1.337 0.058 0 C-N-CA 122.353 0.261 . . . . 0.0 110.732 176.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -77.34 -30.87 54.11 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.685 0.394 . . . . 0.0 110.162 174.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -79.16 -37.42 38.47 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.496 0.318 . . . . 0.0 110.651 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -75.79 0.75 16.89 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.092 0 O-C-N 122.068 -0.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 78.1 t90 . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.254 9.5 t80 -51.96 -17.88 1.17 Allowed 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 118.882 2.919 . . . . 0.0 118.882 -174.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -62.4 -17.43 59.18 Favored 'General case' 0 C--N 1.339 0.133 0 O-C-N 121.554 -0.716 . . . . 0.0 111.448 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -67.6 -15.96 63.92 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.1 -36.24 79.46 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.52 0.6 . . . . 0.0 109.676 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m -66.86 -8.79 31.51 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.85 0.46 . . . . 0.0 111.307 176.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -99.01 -33.98 10.6 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.027 0.531 . . . . 0.0 110.916 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -75.42 -44.2 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 122.386 0.275 . . . . 0.0 110.458 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -71.94 -25.48 61.91 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.6 p -80.09 -30.16 39.15 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 118.305 0.502 . . . . 0.0 110.259 177.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.7 ttt85 -72.96 -31.23 64.41 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -74.03 -29.01 61.7 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.836 0.454 . . . . 0.0 110.065 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -78.27 -29.92 48.25 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 122.315 0.246 . . . . 0.0 110.818 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -76.29 0.46 19.22 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.205 0 O-C-N 122.067 -0.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 80.1 t90 . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 110.727 -0.101 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.263 41.6 m-85 -78.67 101.01 7.28 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 116.385 1.994 . . . . 0.0 116.385 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -76.78 -18.45 58.43 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.792 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -80.36 21.85 0.59 Allowed 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 123.372 0.669 . . . . 0.0 111.843 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 67.6 tp -57.54 -27.82 62.95 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 122.012 -0.43 . . . . 0.0 111.358 -176.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.5 p -67.64 -17.94 64.78 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -76.28 -29.58 57.46 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 122.748 0.419 . . . . 0.0 110.445 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.1 mt -74.13 -38.24 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 O-C-N 122.359 -0.213 . . . . 0.0 110.502 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -73.29 -30.89 63.71 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.7 p -75.87 -24.84 55.75 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 118.221 0.464 . . . . 0.0 110.831 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -72.25 -32.54 66.77 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 tt -76.69 -29.51 56.34 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 122.565 0.346 . . . . 0.0 110.104 177.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -75.15 -28.5 60.14 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 122.365 0.266 . . . . 0.0 110.804 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -77.8 0.36 24.07 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 114.949 1.462 . . . . 0.0 114.949 177.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.167 0 O-C-N 122.113 -0.367 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 84.2 t90 . . . . . 0 N--CA 1.473 0.699 0 CA-C-O 120.188 0.042 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.262 44.2 m-85 -75.96 98.44 4.26 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 -179.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -77.27 -15.77 59.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.711 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -70.38 -10.62 59.55 Favored 'General case' 0 C--O 1.228 -0.049 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.64 -44.4 74.26 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 118.372 0.533 . . . . 0.0 109.856 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 t -68.93 -17.12 63.91 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 120.411 0.148 . . . . 0.0 111.324 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -71.63 -34.66 69.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.1 mt -71.1 -36.78 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -71.25 -28.92 64.5 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 122.189 -0.319 . . . . 0.0 110.399 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.2 m -74.13 -30.51 62.33 Favored 'General case' 0 C--N 1.338 0.106 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -73.47 -32.65 64.44 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 122.64 0.376 . . . . 0.0 110.273 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -73.6 -29.36 62.34 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.873 0.469 . . . . 0.0 110.437 176.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -77.46 -28.83 52.47 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.494 0.318 . . . . 0.0 110.66 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -78.34 1.49 21.7 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 177.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.089 0 O-C-N 121.997 -0.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 82.9 t90 . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 110.613 -0.143 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.263 44.2 m-85 -76.76 100.36 5.43 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -77.45 -20.07 55.03 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.843 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.38 10.39 4.67 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.197 0.599 . . . . 0.0 112.113 178.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.5 tp -59.9 -27.1 66.45 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.556 0.343 . . . . 0.0 111.415 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.8 p -66.22 -12.74 58.02 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.345 0.258 . . . . 0.0 111.519 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -67.86 -26.54 66.08 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 122.705 0.402 . . . . 0.0 110.801 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 70.0 mt -85.74 -35.51 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 O-C-N 122.406 -0.184 . . . . 0.0 110.526 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -75.43 -23.02 56.9 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.3 p -67.6 -21.7 65.39 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.409 0.549 . . . . 0.0 110.378 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -74.06 -27.36 60.88 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 122.469 0.308 . . . . 0.0 110.667 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -81.26 -30.23 34.15 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -77.26 -21.88 53.01 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 116.839 -0.164 . . . . 0.0 111.013 178.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -78.68 2.28 20.07 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 176.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.129 0 O-C-N 121.969 -0.457 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 81.0 t90 . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 110.784 -0.08 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.273 46.2 m-85 -76.81 100.82 5.62 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -82.45 -12.48 57.82 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.38 0.672 . . . . 0.0 111.23 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -12.15 49.07 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.424 0.69 . . . . 0.0 111.372 -179.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 61.9 tp -63.28 -25.2 68.21 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.653 0.381 . . . . 0.0 110.669 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -62.61 -19.68 64.0 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 122.307 -0.245 . . . . 0.0 111.468 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -66.78 -30.34 70.52 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.946 -0.471 . . . . 0.0 110.201 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.7 mm -76.53 -39.17 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -73.8 -19.99 60.6 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.593 0.357 . . . . 0.0 111.213 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -67.67 -20.38 65.3 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 117.741 0.246 . . . . 0.0 111.245 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.7 mtp-105 -76.32 -27.07 56.39 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 122.386 0.274 . . . . 0.0 110.762 177.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -85.23 -26.69 26.55 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 177.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -76.47 -21.72 55.49 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.025 0.53 . . . . 0.0 111.276 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -68.13 115.96 8.2 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.165 0 CA-C-N 116.673 -0.239 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 70.8 t90 . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -50.79 -20.62 1.33 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 -174.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -65.6 -17.1 64.34 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 122.048 -0.407 . . . . 0.0 111.626 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 35.2 mmt-85 -67.36 -17.98 64.97 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 38.2 mt -75.18 -46.09 36.39 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.3 t -60.97 -24.26 65.96 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.5 0.19 . . . . 0.0 110.658 178.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -71.19 -44.87 64.58 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 122.817 0.447 . . . . 0.0 110.823 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -76.06 -40.45 37.44 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.786 -178.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -67.8 -21.2 65.24 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.8 m -71.39 -30.4 66.08 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 118.078 0.399 . . . . 0.0 110.843 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -79.5 -24.46 42.26 Favored 'General case' 0 N--CA 1.457 -0.097 0 O-C-N 122.257 -0.277 . . . . 0.0 111.076 177.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tt -76.23 -30.74 58.05 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -77.65 -26.08 50.13 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 122.576 0.35 . . . . 0.0 110.761 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -76.88 -4.75 45.37 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.023 0 O-C-N 121.215 -0.928 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.87 ' NE1' ' CE2' ' A' ' 1' ' ' TRP . 76.6 t90 . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -51.33 -16.61 0.57 Allowed 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 -174.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -66.76 -14.39 62.54 Favored 'General case' 0 C--N 1.339 0.152 0 O-C-N 121.636 -0.665 . . . . 0.0 110.812 -177.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -16.24 59.97 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.455 0.702 . . . . 0.0 111.259 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.5 -27.44 67.78 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.01 0.368 . . . . 0.0 110.627 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -69.94 -13.89 62.46 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 122.287 0.235 . . . . 0.0 111.565 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -74.07 -30.9 62.61 Favored 'General case' 0 C--N 1.338 0.088 0 C-N-CA 122.333 0.253 . . . . 0.0 110.643 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 91.2 mt -66.21 -30.74 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 122.526 0.331 . . . . 0.0 110.977 -173.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -72.46 -20.2 61.43 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 122.425 0.29 . . . . 0.0 111.756 -178.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.7 p -67.74 -14.54 63.03 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 118.143 0.429 . . . . 0.0 111.071 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -77.4 -13.85 59.84 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.389 0.676 . . . . 0.0 112.164 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -126.02 -20.02 4.65 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 122.587 0.355 . . . . 0.0 110.786 178.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -74.02 -14.9 61.08 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.235 0.214 . . . . 0.0 111.202 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.8 p30 -74.07 -1.75 21.46 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.12 0 O-C-N 121.885 -0.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 82.6 t90 . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 110.796 -0.075 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.26 47.0 m-85 -75.51 100.37 4.51 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -82.55 -11.92 58.1 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.338 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -12.61 55.92 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 123.556 0.743 . . . . 0.0 111.133 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 66.3 tp -63.41 -24.8 67.99 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.11 -0.369 . . . . 0.0 110.608 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 t -64.05 -18.05 63.97 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 117.584 0.174 . . . . 0.0 111.431 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -67.7 -28.92 68.08 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 122.062 -0.399 . . . . 0.0 110.23 178.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mp -80.44 -39.76 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -74.92 -33.89 62.05 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.14 -0.35 . . . . 0.0 111.316 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.8 p -74.45 -19.58 60.34 Favored 'General case' 0 C--N 1.333 -0.114 0 O-C-N 122.333 -0.229 . . . . 0.0 111.039 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -72.91 -33.83 66.23 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 110.17 -0.308 . . . . 0.0 110.17 176.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -77.55 -28.76 51.93 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -73.09 -23.73 60.56 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.893 0.477 . . . . 0.0 111.16 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -77.85 -5.57 51.35 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.06 0 O-C-N 121.422 -0.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 49.4 t90 . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.321 13.2 t80 55.08 -24.68 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 120.812 3.634 . . . . 0.0 120.812 173.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -67.04 -15.05 63.48 Favored 'General case' 0 N--CA 1.457 -0.111 0 O-C-N 121.394 -0.816 . . . . 0.0 110.826 -174.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.21 -15.67 62.71 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.5 0.72 . . . . 0.0 111.53 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.2 tp -64.59 -27.17 68.77 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-N 117.79 0.268 . . . . 0.0 110.672 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.4 p -64.73 -14.62 59.39 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 122.294 -0.254 . . . . 0.0 111.523 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -79.49 -33.52 42.13 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.083 -0.386 . . . . 0.0 110.709 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.7 mt -71.03 -30.73 42.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 122.228 0.211 . . . . 0.0 111.145 -172.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -70.6 -17.58 62.9 Favored 'General case' 0 CA--C 1.529 0.138 0 O-C-N 121.997 -0.439 . . . . 0.0 111.882 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.1 p -66.91 -20.88 65.99 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.291 0.496 . . . . 0.0 110.401 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.0 mtp-105 -74.61 -24.47 58.87 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 122.73 0.412 . . . . 0.0 111.46 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -90.25 -34.59 15.72 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -80.27 -16.89 53.66 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 112.557 0.576 . . . . 0.0 112.557 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -155.69 -37.14 0.09 Allowed 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 121.004 0.431 . . . . 0.0 112.109 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.239 0 O-C-N 121.934 -0.479 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 77.9 t90 . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -51.8 -18.66 1.35 Allowed 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 118.988 2.958 . . . . 0.0 118.988 -174.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -61.96 -18.51 60.63 Favored 'General case' 0 N--CA 1.461 0.095 0 O-C-N 121.665 -0.647 . . . . 0.0 111.389 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.9 mmt-85 -66.44 -14.74 62.62 Favored 'General case' 0 CA--C 1.523 -0.077 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.25 -34.76 75.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 118.652 0.66 . . . . 0.0 110.119 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.9 t -66.04 -14.96 62.6 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 122.557 -0.089 . . . . 0.0 110.947 177.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -88.38 -40.61 13.41 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.625 0.37 . . . . 0.0 110.584 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.5 mt -69.99 -42.01 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 122.249 0.22 . . . . 0.0 110.993 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -71.33 -35.24 71.13 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 122.159 -0.338 . . . . 0.0 111.117 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.2 t -69.56 -12.93 62.05 Favored 'General case' 0 C--O 1.233 0.188 0 O-C-N 121.99 -0.444 . . . . 0.0 111.52 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -71.6 -18.46 62.22 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 123.173 0.589 . . . . 0.0 111.879 -177.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -146.59 -37.72 0.23 Allowed 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 117.663 0.21 . . . . 0.0 111.371 -177.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -72.86 -14.37 61.48 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -173.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -79.51 -0.84 34.98 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 176.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.135 0 O-C-N 122.151 -0.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 69.4 t90 . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.274 46.3 m-85 -74.07 102.65 4.27 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 116.936 2.199 . . . . 0.0 116.936 -178.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -135.97 -15.39 1.77 Allowed 'General case' 0 C--N 1.335 -0.041 0 C-N-CA 123.442 0.697 . . . . 0.0 110.078 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.6 tpp85 -79.86 -7.38 58.69 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.452 1.101 . . . . 0.0 111.887 -175.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -60.05 -27.27 66.81 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.942 -0.474 . . . . 0.0 110.807 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 m -64.22 -13.05 46.53 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -75.55 -33.26 60.66 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 122.01 -0.431 . . . . 0.0 110.475 177.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mp -70.36 -35.25 61.59 Favored 'Isoleucine or valine' 0 C--O 1.231 0.131 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -175.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -70.38 -14.33 62.52 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.4 p -69.63 -23.34 63.48 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.131 0.423 . . . . 0.0 110.233 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.9 mtp-105 -74.37 -25.15 59.32 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 122.321 0.248 . . . . 0.0 110.899 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -85.37 -28.58 25.09 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -74.45 -28.54 61.09 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 122.506 0.322 . . . . 0.0 110.668 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -76.89 2.24 15.23 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 177.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.166 0 O-C-N 121.995 -0.44 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 79.5 t90 . . . . . 0 N--CA 1.473 0.688 0 CA-C-O 119.723 -0.18 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.262 43.3 m-85 -77.28 99.43 5.5 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 116.591 2.071 . . . . 0.0 116.591 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -76.19 -18.25 59.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.722 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.54 11.16 3.92 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.147 0.579 . . . . 0.0 112.459 178.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.3 tp -57.84 -31.76 66.96 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.652 0.381 . . . . 0.0 111.111 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.5 m -63.43 -12.16 28.99 Favored 'General case' 0 C--O 1.231 0.091 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -74.66 -33.72 62.56 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 117.951 0.341 . . . . 0.0 110.422 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 53.6 mt -71.5 -30.86 40.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 O-C-N 122.289 -0.257 . . . . 0.0 110.467 -176.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -69.27 -0.76 6.62 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.465 0.706 . . . . 0.0 112.34 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -138.14 -7.68 1.57 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 178.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.3 ttt-85 -77.28 -28.97 53.6 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 117.97 0.35 . . . . 0.0 111.449 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 tt -153.23 -26.15 0.15 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.711 0.404 . . . . 0.0 111.737 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -69.22 -16.23 63.56 Favored 'General case' 0 C--N 1.34 0.178 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -67.32 116.18 7.8 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.243 0 O-C-N 122.197 -0.315 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 78.9 t90 . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -51.22 -17.48 0.7 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 118.868 2.914 . . . . 0.0 118.868 -174.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -66.07 -13.84 60.7 Favored 'General case' 0 N--CA 1.462 0.173 0 O-C-N 121.754 -0.591 . . . . 0.0 111.058 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -13.54 58.64 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.245 0.618 . . . . 0.0 111.488 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.0 tt -65.12 -25.05 67.6 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 118.019 0.372 . . . . 0.0 110.98 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 m -68.99 -11.86 61.16 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 122.75 0.42 . . . . 0.0 111.918 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -85.48 -20.52 29.59 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.68 0.392 . . . . 0.0 111.177 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.7 mt -75.0 -21.49 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 122.589 0.355 . . . . 0.0 111.415 -173.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -62.49 -24.76 67.64 Favored 'General case' 0 CA--C 1.529 0.163 0 O-C-N 121.751 -0.593 . . . . 0.0 112.143 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.3 p -77.22 -2.34 34.12 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.778 -0.576 . . . . 0.0 111.424 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -122.45 -23.05 5.3 Favored 'General case' 0 C--N 1.338 0.093 0 C-N-CA 123.582 0.753 . . . . 0.0 110.571 175.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -85.74 -19.38 30.89 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.503 0.721 . . . . 0.0 110.895 176.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -137.06 -24.43 1.11 Allowed 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 122.678 0.391 . . . . 0.0 111.66 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 t0 53.8 37.29 26.05 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.981 0.896 . . . . 0.0 113.24 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.006 0 O-C-N 121.467 -0.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 80.3 t90 . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -52.1 -17.5 1.09 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 118.861 2.911 . . . . 0.0 118.861 -174.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -61.73 -17.7 56.84 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 121.846 -0.534 . . . . 0.0 111.609 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -67.2 -13.24 61.77 Favored 'General case' 0 N--CA 1.458 -0.048 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 176.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.7 -42.67 95.12 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 t -77.01 -8.63 57.76 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.465 0.306 . . . . 0.0 111.363 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -81.21 -23.46 38.1 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 122.587 0.355 . . . . 0.0 110.794 -179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.3 mt -75.45 -27.41 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 122.935 0.494 . . . . 0.0 111.104 -178.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -66.95 150.52 49.11 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 122.07 -0.394 . . . . 0.0 110.221 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.9 m 51.24 26.57 3.03 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 124.131 0.972 . . . . 0.0 112.963 -176.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.0 ttt85 -141.92 -34.7 0.46 Allowed 'General case' 0 C--N 1.34 0.153 0 C-N-CA 123.169 0.588 . . . . 0.0 110.116 176.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 tt -82.23 -18.71 41.61 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.823 0.449 . . . . 0.0 110.92 173.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -127.93 0.26 5.96 Favored 'General case' 0 C--N 1.34 0.186 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -177.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -68.22 118.77 11.78 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 176.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.151 0 CA-C-N 116.885 -0.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.5 t80 . . . . . 0 CA--C 1.531 0.223 0 N-CA-C 118.785 2.883 . . . . 0.0 118.785 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -66.27 -15.82 63.52 Favored 'General case' 0 CA--C 1.526 0.047 0 O-C-N 121.538 -0.726 . . . . 0.0 111.097 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -13.41 60.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.929 0.492 . . . . 0.0 111.912 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.9 tp -65.61 -28.16 68.92 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 117.938 0.335 . . . . 0.0 110.779 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 t -66.83 -17.7 65.01 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 122.332 -0.23 . . . . 0.0 111.401 -178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -74.3 -27.71 60.85 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.573 0.349 . . . . 0.0 110.205 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 70.9 mt -79.05 -32.45 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -76.94 -34.23 57.64 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.192 -0.318 . . . . 0.0 111.295 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.2 p -71.67 -23.75 61.72 Favored 'General case' 0 N--CA 1.457 -0.117 0 O-C-N 121.995 -0.441 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.4 ttt85 -65.9 -28.93 69.31 Favored 'General case' 0 CA--C 1.527 0.07 0 C-N-CA 122.357 0.263 . . . . 0.0 110.641 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -92.31 -33.34 14.66 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.176 0.59 . . . . 0.0 109.929 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -74.92 -39.18 61.54 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -174.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 p30 . . . . . 0 CA--C 1.53 0.202 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 179.64 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 t80 . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 119.085 2.994 . . . . 0.0 119.085 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -61.12 -21.64 63.91 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 121.572 -0.705 . . . . 0.0 111.454 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.5 -6.21 44.97 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.13 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.64 -27.2 69.06 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 118.55 0.614 . . . . 0.0 109.722 175.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p -63.46 -15.87 59.01 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.532 0.333 . . . . 0.0 111.289 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -70.79 -30.74 67.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.378 0.271 . . . . 0.0 110.427 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mp -76.06 -38.78 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -71.89 -23.53 61.51 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.232 0.213 . . . . 0.0 110.785 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -70.66 -27.29 63.91 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 117.663 0.211 . . . . 0.0 110.946 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -79.59 -23.54 42.65 Favored 'General case' 0 C--N 1.339 0.13 0 O-C-N 122.252 -0.28 . . . . 0.0 110.792 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -80.5 -28.74 37.39 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 122.679 0.392 . . . . 0.0 109.961 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -79.45 -24.43 42.44 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.152 0.581 . . . . 0.0 111.189 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.4 t0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 178.392 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.3 t80 . . . . . 0 CA--C 1.534 0.359 0 N-CA-C 118.068 2.618 . . . . 0.0 118.068 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -67.73 -13.89 62.48 Favored 'General case' 0 C--N 1.338 0.095 0 O-C-N 121.932 -0.48 . . . . 0.0 111.795 -178.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.9 mmm-85 -132.77 -20.67 2.24 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 123.387 0.675 . . . . 0.0 112.75 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 66.3 tp -72.36 -31.49 65.65 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.581 0.628 . . . . 0.0 110.523 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.7 p -70.38 -13.71 62.26 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 121.99 0.116 . . . . 0.0 111.201 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -85.24 -36.92 20.61 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 122.741 0.416 . . . . 0.0 110.896 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 93.6 mt -65.49 -26.55 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -172.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -67.38 -23.08 65.54 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.436 0.562 . . . . 0.0 111.55 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.8 p -68.31 -14.86 63.3 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 121.781 -0.574 . . . . 0.0 110.899 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -80.2 -7.72 59.1 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 123.143 0.577 . . . . 0.0 112.411 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 tt -123.97 -21.25 5.14 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.459 0.704 . . . . 0.0 110.012 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -88.51 -2.14 58.44 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 122.841 0.456 . . . . 0.0 111.69 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.5 p30 . . . . . 0 CA--C 1.53 0.187 0 N-CA-C 114.892 1.442 . . . . 0.0 114.892 178.387 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.255 5.3 t80 . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 118.593 2.812 . . . . 0.0 118.593 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -66.23 -20.55 66.15 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 121.35 -0.844 . . . . 0.0 110.858 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.401 ' HD3' ' HA ' ' A' ' 4' ' ' ARG . 15.6 mmt85 -78.24 -27.52 47.66 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 117.735 0.243 . . . . 0.0 111.652 174.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.1 mt -73.42 -41.68 62.99 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 175.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -60.74 -22.82 64.41 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.719 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 -76.77 -40.29 48.75 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.457 0.303 . . . . 0.0 110.376 176.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.8 mt -69.76 -44.85 78.79 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 C-N-CA 122.402 0.281 . . . . 0.0 110.815 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -67.68 -21.14 65.35 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.0 t -67.14 -24.48 65.9 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 118.283 0.492 . . . . 0.0 110.667 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -72.9 -24.53 60.85 Favored 'General case' 0 C--N 1.339 0.147 0 O-C-N 122.428 -0.17 . . . . 0.0 110.878 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tt -84.5 -30.02 25.52 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.726 0.41 . . . . 0.0 109.929 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -79.63 -30.42 41.33 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 122.153 0.181 . . . . 0.0 111.361 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 . . . . . 0 CA--C 1.529 0.152 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 175.122 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.256 6.6 t80 . . . . . 0 CA--C 1.53 0.184 0 N-CA-C 118.656 2.835 . . . . 0.0 118.656 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -64.17 -20.45 66.01 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.308 -0.87 . . . . 0.0 111.001 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 4' ' ' ARG . 18.5 mmt85 -80.06 -19.39 47.65 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 174.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.2 mt -83.09 -43.38 16.33 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 175.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t -58.78 -25.81 63.45 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 175.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -70.59 -43.82 68.58 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.695 0.398 . . . . 0.0 110.799 176.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 91.7 mt -69.43 -42.71 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.118 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -70.45 -26.47 63.67 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 118.114 0.415 . . . . 0.0 111.844 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 t -65.95 -24.4 66.8 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 118.462 0.574 . . . . 0.0 111.225 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.3 mtp-105 -71.81 -7.55 48.96 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tt -120.19 -20.24 7.43 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.571 0.748 . . . . 0.0 110.008 176.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -96.37 -6.9 36.52 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.1 p30 . . . . . 0 CA--C 1.531 0.232 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 175.96 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.255 43.3 m-85 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 116.868 2.173 . . . . 0.0 116.868 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.0 p80 -79.22 -19.64 50.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.538 176.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -85.29 31.62 0.57 Allowed 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.431 0.692 . . . . 0.0 110.938 176.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.8 tp -55.72 -28.49 56.06 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 t -64.76 -22.06 66.9 Favored 'General case' 0 C--O 1.232 0.174 0 O-C-N 121.945 -0.472 . . . . 0.0 111.279 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -76.81 -32.75 57.83 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.05 0.54 . . . . 0.0 110.221 178.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 59.8 mt -69.35 -34.67 63.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 O-C-N 122.139 -0.35 . . . . 0.0 110.075 -176.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -69.93 -26.01 63.94 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 122.101 -0.374 . . . . 0.0 110.902 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.1 t -77.98 -33.98 51.16 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -71.07 -25.68 62.73 Favored 'General case' 0 C--N 1.337 0.058 0 C-N-CA 122.353 0.261 . . . . 0.0 110.732 176.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -77.34 -30.87 54.11 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.685 0.394 . . . . 0.0 110.162 174.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -79.16 -37.42 38.47 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.496 0.318 . . . . 0.0 110.651 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 177.073 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.254 9.5 t80 . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 118.882 2.919 . . . . 0.0 118.882 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -62.4 -17.43 59.18 Favored 'General case' 0 C--N 1.339 0.133 0 O-C-N 121.554 -0.716 . . . . 0.0 111.448 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -67.6 -15.96 63.92 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.1 -36.24 79.46 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.52 0.6 . . . . 0.0 109.676 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m -66.86 -8.79 31.51 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.85 0.46 . . . . 0.0 111.307 176.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -99.01 -33.98 10.6 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.027 0.531 . . . . 0.0 110.916 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -75.42 -44.2 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 122.386 0.275 . . . . 0.0 110.458 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -71.94 -25.48 61.91 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.6 p -80.09 -30.16 39.15 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 118.305 0.502 . . . . 0.0 110.259 177.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.7 ttt85 -72.96 -31.23 64.41 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -74.03 -29.01 61.7 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.836 0.454 . . . . 0.0 110.065 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -78.27 -29.92 48.25 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 122.315 0.246 . . . . 0.0 110.818 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 177.886 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.263 41.6 m-85 . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 116.385 1.994 . . . . 0.0 116.385 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -76.78 -18.45 58.43 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.792 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -80.36 21.85 0.59 Allowed 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 123.372 0.669 . . . . 0.0 111.843 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 67.6 tp -57.54 -27.82 62.95 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 122.012 -0.43 . . . . 0.0 111.358 -176.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.5 p -67.64 -17.94 64.78 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -76.28 -29.58 57.46 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 122.748 0.419 . . . . 0.0 110.445 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.1 mt -74.13 -38.24 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 O-C-N 122.359 -0.213 . . . . 0.0 110.502 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -73.29 -30.89 63.71 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.7 p -75.87 -24.84 55.75 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 118.221 0.464 . . . . 0.0 110.831 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -72.25 -32.54 66.77 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 tt -76.69 -29.51 56.34 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 122.565 0.346 . . . . 0.0 110.104 177.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -75.15 -28.5 60.14 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 122.365 0.266 . . . . 0.0 110.804 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 114.949 1.462 . . . . 0.0 114.949 177.791 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.262 44.2 m-85 . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -77.27 -15.77 59.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.711 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -70.38 -10.62 59.55 Favored 'General case' 0 C--O 1.228 -0.049 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.64 -44.4 74.26 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 118.372 0.533 . . . . 0.0 109.856 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 t -68.93 -17.12 63.91 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 120.411 0.148 . . . . 0.0 111.324 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -71.63 -34.66 69.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.1 mt -71.1 -36.78 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -71.25 -28.92 64.5 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 122.189 -0.319 . . . . 0.0 110.399 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.2 m -74.13 -30.51 62.33 Favored 'General case' 0 C--N 1.338 0.106 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -73.47 -32.65 64.44 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 122.64 0.376 . . . . 0.0 110.273 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -73.6 -29.36 62.34 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.873 0.469 . . . . 0.0 110.437 176.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -77.46 -28.83 52.47 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.494 0.318 . . . . 0.0 110.66 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 . . . . . 0 CA--C 1.531 0.248 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 177.554 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.263 44.2 m-85 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -77.45 -20.07 55.03 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.843 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.38 10.39 4.67 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.197 0.599 . . . . 0.0 112.113 178.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.5 tp -59.9 -27.1 66.45 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.556 0.343 . . . . 0.0 111.415 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.8 p -66.22 -12.74 58.02 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.345 0.258 . . . . 0.0 111.519 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -67.86 -26.54 66.08 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 122.705 0.402 . . . . 0.0 110.801 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 70.0 mt -85.74 -35.51 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 O-C-N 122.406 -0.184 . . . . 0.0 110.526 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -75.43 -23.02 56.9 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.3 p -67.6 -21.7 65.39 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.409 0.549 . . . . 0.0 110.378 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -74.06 -27.36 60.88 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 122.469 0.308 . . . . 0.0 110.667 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -81.26 -30.23 34.15 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -77.26 -21.88 53.01 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 116.839 -0.164 . . . . 0.0 111.013 178.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 . . . . . 0 CA--C 1.53 0.176 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 176.739 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.273 46.2 m-85 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -82.45 -12.48 57.82 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.38 0.672 . . . . 0.0 111.23 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -12.15 49.07 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.424 0.69 . . . . 0.0 111.372 -179.075 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 61.9 tp -63.28 -25.2 68.21 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.653 0.381 . . . . 0.0 110.669 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -62.61 -19.68 64.0 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 122.307 -0.245 . . . . 0.0 111.468 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -66.78 -30.34 70.52 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.946 -0.471 . . . . 0.0 110.201 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.7 mm -76.53 -39.17 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -73.8 -19.99 60.6 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.593 0.357 . . . . 0.0 111.213 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -67.67 -20.38 65.3 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 117.741 0.246 . . . . 0.0 111.245 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.7 mtp-105 -76.32 -27.07 56.39 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 122.386 0.274 . . . . 0.0 110.762 177.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -85.23 -26.69 26.55 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 177.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -76.47 -21.72 55.49 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.025 0.53 . . . . 0.0 111.276 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 179.047 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 t80 . . . . . 0 CA--C 1.534 0.359 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -65.6 -17.1 64.34 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 122.048 -0.407 . . . . 0.0 111.626 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 35.2 mmt-85 -67.36 -17.98 64.97 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 38.2 mt -75.18 -46.09 36.39 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.3 t -60.97 -24.26 65.96 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.5 0.19 . . . . 0.0 110.658 178.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -71.19 -44.87 64.58 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 122.817 0.447 . . . . 0.0 110.823 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -76.06 -40.45 37.44 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.786 -178.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -67.8 -21.2 65.24 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.8 m -71.39 -30.4 66.08 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 118.078 0.399 . . . . 0.0 110.843 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -79.5 -24.46 42.26 Favored 'General case' 0 N--CA 1.457 -0.097 0 O-C-N 122.257 -0.277 . . . . 0.0 111.076 177.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tt -76.23 -30.74 58.05 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -77.65 -26.08 50.13 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 122.576 0.35 . . . . 0.0 110.761 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.0 t0 . . . . . 0 CA--C 1.535 0.388 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.689 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.8 t80 . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -66.76 -14.39 62.54 Favored 'General case' 0 C--N 1.339 0.152 0 O-C-N 121.636 -0.665 . . . . 0.0 110.812 -177.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -16.24 59.97 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.455 0.702 . . . . 0.0 111.259 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.5 -27.44 67.78 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.01 0.368 . . . . 0.0 110.627 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -69.94 -13.89 62.46 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 122.287 0.235 . . . . 0.0 111.565 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -74.07 -30.9 62.61 Favored 'General case' 0 C--N 1.338 0.088 0 C-N-CA 122.333 0.253 . . . . 0.0 110.643 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 91.2 mt -66.21 -30.74 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 122.526 0.331 . . . . 0.0 110.977 -173.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -72.46 -20.2 61.43 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 122.425 0.29 . . . . 0.0 111.756 -178.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.7 p -67.74 -14.54 63.03 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 118.143 0.429 . . . . 0.0 111.071 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -77.4 -13.85 59.84 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.389 0.676 . . . . 0.0 112.164 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -126.02 -20.02 4.65 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 122.587 0.355 . . . . 0.0 110.786 178.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -74.02 -14.9 61.08 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.235 0.214 . . . . 0.0 111.202 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.8 p30 . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 178.787 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.26 47.0 m-85 . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -82.55 -11.92 58.1 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.338 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -12.61 55.92 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 123.556 0.743 . . . . 0.0 111.133 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 66.3 tp -63.41 -24.8 67.99 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.11 -0.369 . . . . 0.0 110.608 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 t -64.05 -18.05 63.97 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 117.584 0.174 . . . . 0.0 111.431 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -67.7 -28.92 68.08 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 122.062 -0.399 . . . . 0.0 110.23 178.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.8 mp -80.44 -39.76 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 -178.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -74.92 -33.89 62.05 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.14 -0.35 . . . . 0.0 111.316 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.8 p -74.45 -19.58 60.34 Favored 'General case' 0 C--N 1.333 -0.114 0 O-C-N 122.333 -0.229 . . . . 0.0 111.039 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -72.91 -33.83 66.23 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 110.17 -0.308 . . . . 0.0 110.17 176.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -77.55 -28.76 51.93 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -73.09 -23.73 60.56 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.893 0.477 . . . . 0.0 111.16 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.0 t0 . . . . . 0 CA--C 1.537 0.475 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.629 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.321 13.2 t80 . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 120.812 3.634 . . . . 0.0 120.812 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -67.04 -15.05 63.48 Favored 'General case' 0 N--CA 1.457 -0.111 0 O-C-N 121.394 -0.816 . . . . 0.0 110.826 -174.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.21 -15.67 62.71 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.5 0.72 . . . . 0.0 111.53 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.2 tp -64.59 -27.17 68.77 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-N 117.79 0.268 . . . . 0.0 110.672 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.4 p -64.73 -14.62 59.39 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 122.294 -0.254 . . . . 0.0 111.523 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -79.49 -33.52 42.13 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.083 -0.386 . . . . 0.0 110.709 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.7 mt -71.03 -30.73 42.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 122.228 0.211 . . . . 0.0 111.145 -172.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -70.6 -17.58 62.9 Favored 'General case' 0 CA--C 1.529 0.138 0 O-C-N 121.997 -0.439 . . . . 0.0 111.882 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.1 p -66.91 -20.88 65.99 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.291 0.496 . . . . 0.0 110.401 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.0 mtp-105 -74.61 -24.47 58.87 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 122.73 0.412 . . . . 0.0 111.46 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -90.25 -34.59 15.72 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -80.27 -16.89 53.66 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 112.557 0.576 . . . . 0.0 112.557 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.8 t0 . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 121.004 0.431 . . . . 0.0 112.109 179.366 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.9 t80 . . . . . 0 CA--C 1.532 0.28 0 N-CA-C 118.988 2.958 . . . . 0.0 118.988 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -61.96 -18.51 60.63 Favored 'General case' 0 N--CA 1.461 0.095 0 O-C-N 121.665 -0.647 . . . . 0.0 111.389 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.9 mmt-85 -66.44 -14.74 62.62 Favored 'General case' 0 CA--C 1.523 -0.077 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.25 -34.76 75.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 118.652 0.66 . . . . 0.0 110.119 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.9 t -66.04 -14.96 62.6 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 122.557 -0.089 . . . . 0.0 110.947 177.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -88.38 -40.61 13.41 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.625 0.37 . . . . 0.0 110.584 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.5 mt -69.99 -42.01 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 122.249 0.22 . . . . 0.0 110.993 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -71.33 -35.24 71.13 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 122.159 -0.338 . . . . 0.0 111.117 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.2 t -69.56 -12.93 62.05 Favored 'General case' 0 C--O 1.233 0.188 0 O-C-N 121.99 -0.444 . . . . 0.0 111.52 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -71.6 -18.46 62.22 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 123.173 0.589 . . . . 0.0 111.879 -177.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -146.59 -37.72 0.23 Allowed 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 117.663 0.21 . . . . 0.0 111.371 -177.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -72.86 -14.37 61.48 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -173.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 . . . . . 0 CA--C 1.53 0.177 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 176.352 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.274 46.3 m-85 . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 116.936 2.199 . . . . 0.0 116.936 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -135.97 -15.39 1.77 Allowed 'General case' 0 C--N 1.335 -0.041 0 C-N-CA 123.442 0.697 . . . . 0.0 110.078 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.6 tpp85 -79.86 -7.38 58.69 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.452 1.101 . . . . 0.0 111.887 -175.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -60.05 -27.27 66.81 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.942 -0.474 . . . . 0.0 110.807 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 m -64.22 -13.05 46.53 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -75.55 -33.26 60.66 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 122.01 -0.431 . . . . 0.0 110.475 177.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mp -70.36 -35.25 61.59 Favored 'Isoleucine or valine' 0 C--O 1.231 0.131 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -175.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -70.38 -14.33 62.52 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.4 p -69.63 -23.34 63.48 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.131 0.423 . . . . 0.0 110.233 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.9 mtp-105 -74.37 -25.15 59.32 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 122.321 0.248 . . . . 0.0 110.899 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -85.37 -28.58 25.09 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -74.45 -28.54 61.09 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 122.506 0.322 . . . . 0.0 110.668 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 . . . . . 0 CA--C 1.533 0.304 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 177.66 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.262 43.3 m-85 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 116.591 2.071 . . . . 0.0 116.591 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -76.19 -18.25 59.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.722 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.54 11.16 3.92 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.147 0.579 . . . . 0.0 112.459 178.403 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.3 tp -57.84 -31.76 66.96 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.652 0.381 . . . . 0.0 111.111 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.5 m -63.43 -12.16 28.99 Favored 'General case' 0 C--O 1.231 0.091 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -74.66 -33.72 62.56 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 117.951 0.341 . . . . 0.0 110.422 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 53.6 mt -71.5 -30.86 40.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 O-C-N 122.289 -0.257 . . . . 0.0 110.467 -176.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -69.27 -0.76 6.62 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.465 0.706 . . . . 0.0 112.34 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -138.14 -7.68 1.57 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 178.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.3 ttt-85 -77.28 -28.97 53.6 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 117.97 0.35 . . . . 0.0 111.449 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 tt -153.23 -26.15 0.15 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.711 0.404 . . . . 0.0 111.737 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -69.22 -16.23 63.56 Favored 'General case' 0 C--N 1.34 0.178 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 t0 . . . . . 0 N--CA 1.455 -0.194 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 179.01 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.1 t80 . . . . . 0 CA--C 1.535 0.402 0 N-CA-C 118.868 2.914 . . . . 0.0 118.868 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -66.07 -13.84 60.7 Favored 'General case' 0 N--CA 1.462 0.173 0 O-C-N 121.754 -0.591 . . . . 0.0 111.058 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -13.54 58.64 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.245 0.618 . . . . 0.0 111.488 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.0 tt -65.12 -25.05 67.6 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 118.019 0.372 . . . . 0.0 110.98 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 m -68.99 -11.86 61.16 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 122.75 0.42 . . . . 0.0 111.918 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -85.48 -20.52 29.59 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.68 0.392 . . . . 0.0 111.177 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.7 mt -75.0 -21.49 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 122.589 0.355 . . . . 0.0 111.415 -173.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -62.49 -24.76 67.64 Favored 'General case' 0 CA--C 1.529 0.163 0 O-C-N 121.751 -0.593 . . . . 0.0 112.143 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.3 p -77.22 -2.34 34.12 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.778 -0.576 . . . . 0.0 111.424 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -122.45 -23.05 5.3 Favored 'General case' 0 C--N 1.338 0.093 0 C-N-CA 123.582 0.753 . . . . 0.0 110.571 175.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -85.74 -19.38 30.89 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.503 0.721 . . . . 0.0 110.895 176.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -137.06 -24.43 1.11 Allowed 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 122.678 0.391 . . . . 0.0 111.66 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 t0 . . . . . 0 CA--C 1.535 0.402 0 CA-C-O 121.981 0.896 . . . . 0.0 113.24 -179.611 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.7 t80 . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 118.861 2.911 . . . . 0.0 118.861 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -61.73 -17.7 56.84 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 121.846 -0.534 . . . . 0.0 111.609 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -67.2 -13.24 61.77 Favored 'General case' 0 N--CA 1.458 -0.048 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 176.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.433 HD13 ' C ' ' A' ' 5' ' ' LEU . 3.0 tm? -64.7 -42.67 95.12 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 t -77.01 -8.63 57.76 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.465 0.306 . . . . 0.0 111.363 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -81.21 -23.46 38.1 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 122.587 0.355 . . . . 0.0 110.794 -179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.3 mt -75.45 -27.41 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 122.935 0.494 . . . . 0.0 111.104 -178.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -66.95 150.52 49.11 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 122.07 -0.394 . . . . 0.0 110.221 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.9 m 51.24 26.57 3.03 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 124.131 0.972 . . . . 0.0 112.963 -176.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.0 ttt85 -141.92 -34.7 0.46 Allowed 'General case' 0 C--N 1.34 0.153 0 C-N-CA 123.169 0.588 . . . . 0.0 110.116 176.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 tt -82.23 -18.71 41.61 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.823 0.449 . . . . 0.0 110.92 173.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -127.93 0.26 5.96 Favored 'General case' 0 C--N 1.34 0.186 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -177.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.6 t0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 176.789 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 76.1 t90 . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -51.41 -17.63 0.82 Allowed 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 118.785 2.883 . . . . 0.0 118.785 -174.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -66.27 -15.82 63.52 Favored 'General case' 0 CA--C 1.526 0.047 0 O-C-N 121.538 -0.726 . . . . 0.0 111.097 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -13.41 60.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.929 0.492 . . . . 0.0 111.912 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.9 tp -65.61 -28.16 68.92 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 117.938 0.335 . . . . 0.0 110.779 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 t -66.83 -17.7 65.01 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 122.332 -0.23 . . . . 0.0 111.401 -178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -74.3 -27.71 60.85 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.573 0.349 . . . . 0.0 110.205 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 70.9 mt -79.05 -32.45 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -76.94 -34.23 57.64 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.192 -0.318 . . . . 0.0 111.295 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.2 p -71.67 -23.75 61.72 Favored 'General case' 0 N--CA 1.457 -0.117 0 O-C-N 121.995 -0.441 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.4 ttt85 -65.9 -28.93 69.31 Favored 'General case' 0 CA--C 1.527 0.07 0 C-N-CA 122.357 0.263 . . . . 0.0 110.641 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -92.31 -33.34 14.66 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.176 0.59 . . . . 0.0 109.929 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -74.92 -39.18 61.54 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -174.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 p30 -151.61 7.71 0.5 Allowed 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.066 0 O-C-N 121.669 -0.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 79.8 t90 . . . . . 0 N--CA 1.47 0.553 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -49.74 -19.0 0.55 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 119.085 2.994 . . . . 0.0 119.085 -174.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -61.12 -21.64 63.91 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 121.572 -0.705 . . . . 0.0 111.454 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.5 -6.21 44.97 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.64 -27.2 69.06 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 118.55 0.614 . . . . 0.0 109.722 175.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p -63.46 -15.87 59.01 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.532 0.333 . . . . 0.0 111.289 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -70.79 -30.74 67.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.378 0.271 . . . . 0.0 110.427 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mp -76.06 -38.78 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -71.89 -23.53 61.51 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.232 0.213 . . . . 0.0 110.785 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -70.66 -27.29 63.91 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 117.663 0.211 . . . . 0.0 110.946 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -79.59 -23.54 42.65 Favored 'General case' 0 C--N 1.339 0.13 0 O-C-N 122.252 -0.28 . . . . 0.0 110.792 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -80.5 -28.74 37.39 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 122.679 0.392 . . . . 0.0 109.961 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -79.45 -24.43 42.44 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.152 0.581 . . . . 0.0 111.189 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -67.61 116.1 7.94 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.174 0 O-C-N 122.173 -0.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 75.2 t90 . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -50.17 -24.19 2.64 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 118.068 2.618 . . . . 0.0 118.068 -175.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -67.73 -13.89 62.48 Favored 'General case' 0 C--N 1.338 0.095 0 O-C-N 121.932 -0.48 . . . . 0.0 111.795 -178.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.9 mmm-85 -132.77 -20.67 2.24 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 123.387 0.675 . . . . 0.0 112.75 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 66.3 tp -72.36 -31.49 65.65 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.581 0.628 . . . . 0.0 110.523 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.7 p -70.38 -13.71 62.26 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 121.99 0.116 . . . . 0.0 111.201 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -85.24 -36.92 20.61 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 122.741 0.416 . . . . 0.0 110.896 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 93.6 mt -65.49 -26.55 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -172.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -67.38 -23.08 65.54 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.436 0.562 . . . . 0.0 111.55 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.8 p -68.31 -14.86 63.3 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 121.781 -0.574 . . . . 0.0 110.899 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -80.2 -7.72 59.1 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 123.143 0.577 . . . . 0.0 112.411 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 tt -123.97 -21.25 5.14 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.459 0.704 . . . . 0.0 110.012 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -88.51 -2.14 58.44 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 122.841 0.456 . . . . 0.0 111.69 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.5 p30 -73.3 -1.74 19.21 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 114.892 1.442 . . . . 0.0 114.892 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.178 0 O-C-N 122.121 -0.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 76.0 t90 . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.255 5.3 t80 -51.52 -17.45 0.82 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 118.593 2.812 . . . . 0.0 118.593 -174.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -66.23 -20.55 66.15 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 121.35 -0.844 . . . . 0.0 110.858 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.401 ' HD3' ' HA ' ' A' ' 4' ' ' ARG . 15.6 mmt85 -78.24 -27.52 47.66 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 117.735 0.243 . . . . 0.0 111.652 174.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.1 mt -73.42 -41.68 62.99 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 175.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -60.74 -22.82 64.41 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.719 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 -76.77 -40.29 48.75 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.457 0.303 . . . . 0.0 110.376 176.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.8 mt -69.76 -44.85 78.79 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 C-N-CA 122.402 0.281 . . . . 0.0 110.815 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -67.68 -21.14 65.35 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.0 t -67.14 -24.48 65.9 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 118.283 0.492 . . . . 0.0 110.667 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -72.9 -24.53 60.85 Favored 'General case' 0 C--N 1.339 0.147 0 O-C-N 122.428 -0.17 . . . . 0.0 110.878 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tt -84.5 -30.02 25.52 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.726 0.41 . . . . 0.0 109.929 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -79.63 -30.42 41.33 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 122.153 0.181 . . . . 0.0 111.361 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -76.2 2.07 14.13 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 175.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.218 0 O-C-N 121.961 -0.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 74.0 t90 . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.256 6.6 t80 -51.87 -18.8 1.43 Allowed 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 118.656 2.835 . . . . 0.0 118.656 -174.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -64.17 -20.45 66.01 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.308 -0.87 . . . . 0.0 111.001 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 4' ' ' ARG . 18.5 mmt85 -80.06 -19.39 47.65 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 174.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.2 mt -83.09 -43.38 16.33 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 175.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t -58.78 -25.81 63.45 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 175.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -70.59 -43.82 68.58 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.695 0.398 . . . . 0.0 110.799 176.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 91.7 mt -69.43 -42.71 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.118 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -70.45 -26.47 63.67 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 118.114 0.415 . . . . 0.0 111.844 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 t -65.95 -24.4 66.8 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 118.462 0.574 . . . . 0.0 111.225 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.3 mtp-105 -71.81 -7.55 48.96 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tt -120.19 -20.24 7.43 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.571 0.748 . . . . 0.0 110.008 176.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -96.37 -6.9 36.52 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.1 p30 -68.52 -3.14 10.54 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 175.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.179 0 O-C-N 122.035 -0.416 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 82.8 t90 . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 110.623 -0.14 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.255 43.3 m-85 -77.38 101.2 6.24 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 116.868 2.173 . . . . 0.0 116.868 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.0 p80 -79.22 -19.64 50.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.538 176.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -85.29 31.62 0.57 Allowed 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.431 0.692 . . . . 0.0 110.938 176.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.8 tp -55.72 -28.49 56.06 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 t -64.76 -22.06 66.9 Favored 'General case' 0 C--O 1.232 0.174 0 O-C-N 121.945 -0.472 . . . . 0.0 111.279 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -76.81 -32.75 57.83 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.05 0.54 . . . . 0.0 110.221 178.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 59.8 mt -69.35 -34.67 63.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 O-C-N 122.139 -0.35 . . . . 0.0 110.075 -176.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -69.93 -26.01 63.94 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 122.101 -0.374 . . . . 0.0 110.902 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.1 t -77.98 -33.98 51.16 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -71.07 -25.68 62.73 Favored 'General case' 0 C--N 1.337 0.058 0 C-N-CA 122.353 0.261 . . . . 0.0 110.732 176.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -77.34 -30.87 54.11 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.685 0.394 . . . . 0.0 110.162 174.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -79.16 -37.42 38.47 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.496 0.318 . . . . 0.0 110.651 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -75.79 0.75 16.89 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.092 0 O-C-N 122.068 -0.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 78.1 t90 . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.254 9.5 t80 -51.96 -17.88 1.17 Allowed 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 118.882 2.919 . . . . 0.0 118.882 -174.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -62.4 -17.43 59.18 Favored 'General case' 0 C--N 1.339 0.133 0 O-C-N 121.554 -0.716 . . . . 0.0 111.448 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -67.6 -15.96 63.92 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.1 -36.24 79.46 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.52 0.6 . . . . 0.0 109.676 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m -66.86 -8.79 31.51 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.85 0.46 . . . . 0.0 111.307 176.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -99.01 -33.98 10.6 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.027 0.531 . . . . 0.0 110.916 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -75.42 -44.2 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 122.386 0.275 . . . . 0.0 110.458 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -71.94 -25.48 61.91 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.6 p -80.09 -30.16 39.15 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 118.305 0.502 . . . . 0.0 110.259 177.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.7 ttt85 -72.96 -31.23 64.41 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -74.03 -29.01 61.7 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.836 0.454 . . . . 0.0 110.065 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -78.27 -29.92 48.25 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 122.315 0.246 . . . . 0.0 110.818 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -76.29 0.46 19.22 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.205 0 O-C-N 122.067 -0.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 80.1 t90 . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 110.727 -0.101 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.263 41.6 m-85 -78.67 101.01 7.28 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 116.385 1.994 . . . . 0.0 116.385 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -76.78 -18.45 58.43 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.792 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -80.36 21.85 0.59 Allowed 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 123.372 0.669 . . . . 0.0 111.843 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 67.6 tp -57.54 -27.82 62.95 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 122.012 -0.43 . . . . 0.0 111.358 -176.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.5 p -67.64 -17.94 64.78 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -76.28 -29.58 57.46 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 122.748 0.419 . . . . 0.0 110.445 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.1 mt -74.13 -38.24 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 O-C-N 122.359 -0.213 . . . . 0.0 110.502 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -73.29 -30.89 63.71 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.7 p -75.87 -24.84 55.75 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 118.221 0.464 . . . . 0.0 110.831 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -72.25 -32.54 66.77 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 tt -76.69 -29.51 56.34 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 122.565 0.346 . . . . 0.0 110.104 177.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -75.15 -28.5 60.14 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 122.365 0.266 . . . . 0.0 110.804 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -77.8 0.36 24.07 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 114.949 1.462 . . . . 0.0 114.949 177.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.167 0 O-C-N 122.113 -0.367 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 84.2 t90 . . . . . 0 N--CA 1.473 0.699 0 CA-C-O 120.188 0.042 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.262 44.2 m-85 -75.96 98.44 4.26 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 -179.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -77.27 -15.77 59.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.711 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -70.38 -10.62 59.55 Favored 'General case' 0 C--O 1.228 -0.049 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.64 -44.4 74.26 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 118.372 0.533 . . . . 0.0 109.856 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 t -68.93 -17.12 63.91 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 120.411 0.148 . . . . 0.0 111.324 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -71.63 -34.66 69.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.1 mt -71.1 -36.78 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -71.25 -28.92 64.5 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 122.189 -0.319 . . . . 0.0 110.399 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.2 m -74.13 -30.51 62.33 Favored 'General case' 0 C--N 1.338 0.106 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -73.47 -32.65 64.44 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 122.64 0.376 . . . . 0.0 110.273 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -73.6 -29.36 62.34 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.873 0.469 . . . . 0.0 110.437 176.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -77.46 -28.83 52.47 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.494 0.318 . . . . 0.0 110.66 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -78.34 1.49 21.7 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 177.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.089 0 O-C-N 121.997 -0.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 82.9 t90 . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 110.613 -0.143 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.263 44.2 m-85 -76.76 100.36 5.43 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -77.45 -20.07 55.03 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.843 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.38 10.39 4.67 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.197 0.599 . . . . 0.0 112.113 178.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.5 tp -59.9 -27.1 66.45 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.556 0.343 . . . . 0.0 111.415 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.8 p -66.22 -12.74 58.02 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.345 0.258 . . . . 0.0 111.519 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -67.86 -26.54 66.08 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 122.705 0.402 . . . . 0.0 110.801 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 70.0 mt -85.74 -35.51 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 O-C-N 122.406 -0.184 . . . . 0.0 110.526 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -75.43 -23.02 56.9 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.3 p -67.6 -21.7 65.39 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.409 0.549 . . . . 0.0 110.378 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -74.06 -27.36 60.88 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 122.469 0.308 . . . . 0.0 110.667 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -81.26 -30.23 34.15 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -77.26 -21.88 53.01 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 116.839 -0.164 . . . . 0.0 111.013 178.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -78.68 2.28 20.07 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 176.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.129 0 O-C-N 121.969 -0.457 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 81.0 t90 . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 110.784 -0.08 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.273 46.2 m-85 -76.81 100.82 5.62 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -82.45 -12.48 57.82 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.38 0.672 . . . . 0.0 111.23 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -12.15 49.07 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.424 0.69 . . . . 0.0 111.372 -179.075 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 61.9 tp -63.28 -25.2 68.21 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.653 0.381 . . . . 0.0 110.669 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -62.61 -19.68 64.0 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 122.307 -0.245 . . . . 0.0 111.468 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -66.78 -30.34 70.52 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.946 -0.471 . . . . 0.0 110.201 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.7 mm -76.53 -39.17 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -73.8 -19.99 60.6 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.593 0.357 . . . . 0.0 111.213 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -67.67 -20.38 65.3 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 117.741 0.246 . . . . 0.0 111.245 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.7 mtp-105 -76.32 -27.07 56.39 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 122.386 0.274 . . . . 0.0 110.762 177.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -85.23 -26.69 26.55 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 177.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -76.47 -21.72 55.49 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.025 0.53 . . . . 0.0 111.276 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -68.13 115.96 8.2 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.165 0 CA-C-N 116.673 -0.239 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 70.8 t90 . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -50.79 -20.62 1.33 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 -174.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -65.6 -17.1 64.34 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 122.048 -0.407 . . . . 0.0 111.626 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 35.2 mmt-85 -67.36 -17.98 64.97 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 38.2 mt -75.18 -46.09 36.39 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.3 t -60.97 -24.26 65.96 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.5 0.19 . . . . 0.0 110.658 178.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -71.19 -44.87 64.58 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 122.817 0.447 . . . . 0.0 110.823 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -76.06 -40.45 37.44 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.786 -178.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -67.8 -21.2 65.24 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.8 m -71.39 -30.4 66.08 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 118.078 0.399 . . . . 0.0 110.843 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -79.5 -24.46 42.26 Favored 'General case' 0 N--CA 1.457 -0.097 0 O-C-N 122.257 -0.277 . . . . 0.0 111.076 177.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tt -76.23 -30.74 58.05 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -77.65 -26.08 50.13 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 122.576 0.35 . . . . 0.0 110.761 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -76.88 -4.75 45.37 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.023 0 O-C-N 121.215 -0.928 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.87 ' NE1' ' CE2' ' A' ' 1' ' ' TRP . 76.6 t90 . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -51.33 -16.61 0.57 Allowed 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 -174.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -66.76 -14.39 62.54 Favored 'General case' 0 C--N 1.339 0.152 0 O-C-N 121.636 -0.665 . . . . 0.0 110.812 -177.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -16.24 59.97 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.455 0.702 . . . . 0.0 111.259 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.5 -27.44 67.78 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.01 0.368 . . . . 0.0 110.627 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -69.94 -13.89 62.46 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 122.287 0.235 . . . . 0.0 111.565 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -74.07 -30.9 62.61 Favored 'General case' 0 C--N 1.338 0.088 0 C-N-CA 122.333 0.253 . . . . 0.0 110.643 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 91.2 mt -66.21 -30.74 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 122.526 0.331 . . . . 0.0 110.977 -173.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -72.46 -20.2 61.43 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 122.425 0.29 . . . . 0.0 111.756 -178.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.7 p -67.74 -14.54 63.03 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 118.143 0.429 . . . . 0.0 111.071 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -77.4 -13.85 59.84 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.389 0.676 . . . . 0.0 112.164 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -126.02 -20.02 4.65 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 122.587 0.355 . . . . 0.0 110.786 178.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -74.02 -14.9 61.08 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.235 0.214 . . . . 0.0 111.202 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.8 p30 -74.07 -1.75 21.46 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.12 0 O-C-N 121.885 -0.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 82.6 t90 . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 110.796 -0.075 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.26 47.0 m-85 -75.51 100.37 4.51 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -82.55 -11.92 58.1 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.338 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -12.61 55.92 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 123.556 0.743 . . . . 0.0 111.133 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 66.3 tp -63.41 -24.8 67.99 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.11 -0.369 . . . . 0.0 110.608 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 t -64.05 -18.05 63.97 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 117.584 0.174 . . . . 0.0 111.431 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -67.7 -28.92 68.08 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 122.062 -0.399 . . . . 0.0 110.23 178.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.8 mp -80.44 -39.76 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 -178.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -74.92 -33.89 62.05 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.14 -0.35 . . . . 0.0 111.316 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.8 p -74.45 -19.58 60.34 Favored 'General case' 0 C--N 1.333 -0.114 0 O-C-N 122.333 -0.229 . . . . 0.0 111.039 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -72.91 -33.83 66.23 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 110.17 -0.308 . . . . 0.0 110.17 176.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -77.55 -28.76 51.93 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -73.09 -23.73 60.56 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.893 0.477 . . . . 0.0 111.16 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -77.85 -5.57 51.35 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.06 0 O-C-N 121.422 -0.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 49.4 t90 . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.321 13.2 t80 55.08 -24.68 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 120.812 3.634 . . . . 0.0 120.812 173.045 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -67.04 -15.05 63.48 Favored 'General case' 0 N--CA 1.457 -0.111 0 O-C-N 121.394 -0.816 . . . . 0.0 110.826 -174.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.21 -15.67 62.71 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.5 0.72 . . . . 0.0 111.53 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.2 tp -64.59 -27.17 68.77 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-N 117.79 0.268 . . . . 0.0 110.672 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.4 p -64.73 -14.62 59.39 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 122.294 -0.254 . . . . 0.0 111.523 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -79.49 -33.52 42.13 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.083 -0.386 . . . . 0.0 110.709 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.7 mt -71.03 -30.73 42.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 122.228 0.211 . . . . 0.0 111.145 -172.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -70.6 -17.58 62.9 Favored 'General case' 0 CA--C 1.529 0.138 0 O-C-N 121.997 -0.439 . . . . 0.0 111.882 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.1 p -66.91 -20.88 65.99 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.291 0.496 . . . . 0.0 110.401 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.0 mtp-105 -74.61 -24.47 58.87 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 122.73 0.412 . . . . 0.0 111.46 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -90.25 -34.59 15.72 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -80.27 -16.89 53.66 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 112.557 0.576 . . . . 0.0 112.557 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -155.69 -37.14 0.09 Allowed 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 121.004 0.431 . . . . 0.0 112.109 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.239 0 O-C-N 121.934 -0.479 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 77.9 t90 . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -51.8 -18.66 1.35 Allowed 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 118.988 2.958 . . . . 0.0 118.988 -174.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -61.96 -18.51 60.63 Favored 'General case' 0 N--CA 1.461 0.095 0 O-C-N 121.665 -0.647 . . . . 0.0 111.389 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.9 mmt-85 -66.44 -14.74 62.62 Favored 'General case' 0 CA--C 1.523 -0.077 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.25 -34.76 75.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 118.652 0.66 . . . . 0.0 110.119 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.9 t -66.04 -14.96 62.6 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 122.557 -0.089 . . . . 0.0 110.947 177.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -88.38 -40.61 13.41 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.625 0.37 . . . . 0.0 110.584 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.5 mt -69.99 -42.01 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 122.249 0.22 . . . . 0.0 110.993 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -71.33 -35.24 71.13 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 122.159 -0.338 . . . . 0.0 111.117 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.2 t -69.56 -12.93 62.05 Favored 'General case' 0 C--O 1.233 0.188 0 O-C-N 121.99 -0.444 . . . . 0.0 111.52 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -71.6 -18.46 62.22 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 123.173 0.589 . . . . 0.0 111.879 -177.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -146.59 -37.72 0.23 Allowed 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 117.663 0.21 . . . . 0.0 111.371 -177.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -72.86 -14.37 61.48 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -173.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -79.51 -0.84 34.98 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 176.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.135 0 O-C-N 122.151 -0.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 69.4 t90 . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.274 46.3 m-85 -74.07 102.65 4.27 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 116.936 2.199 . . . . 0.0 116.936 -178.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -135.97 -15.39 1.77 Allowed 'General case' 0 C--N 1.335 -0.041 0 C-N-CA 123.442 0.697 . . . . 0.0 110.078 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.6 tpp85 -79.86 -7.38 58.69 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.452 1.101 . . . . 0.0 111.887 -175.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -60.05 -27.27 66.81 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.942 -0.474 . . . . 0.0 110.807 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 m -64.22 -13.05 46.53 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -75.55 -33.26 60.66 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 122.01 -0.431 . . . . 0.0 110.475 177.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mp -70.36 -35.25 61.59 Favored 'Isoleucine or valine' 0 C--O 1.231 0.131 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -175.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -70.38 -14.33 62.52 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.4 p -69.63 -23.34 63.48 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.131 0.423 . . . . 0.0 110.233 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.9 mtp-105 -74.37 -25.15 59.32 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 122.321 0.248 . . . . 0.0 110.899 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -85.37 -28.58 25.09 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -74.45 -28.54 61.09 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 122.506 0.322 . . . . 0.0 110.668 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -76.89 2.24 15.23 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 177.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.166 0 O-C-N 121.995 -0.44 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 79.5 t90 . . . . . 0 N--CA 1.473 0.688 0 CA-C-O 119.723 -0.18 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.262 43.3 m-85 -77.28 99.43 5.5 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 116.591 2.071 . . . . 0.0 116.591 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -76.19 -18.25 59.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.722 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.54 11.16 3.92 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.147 0.579 . . . . 0.0 112.459 178.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.3 tp -57.84 -31.76 66.96 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.652 0.381 . . . . 0.0 111.111 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.5 m -63.43 -12.16 28.99 Favored 'General case' 0 C--O 1.231 0.091 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -74.66 -33.72 62.56 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 117.951 0.341 . . . . 0.0 110.422 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 53.6 mt -71.5 -30.86 40.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 O-C-N 122.289 -0.257 . . . . 0.0 110.467 -176.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -69.27 -0.76 6.62 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.465 0.706 . . . . 0.0 112.34 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -138.14 -7.68 1.57 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 178.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.3 ttt-85 -77.28 -28.97 53.6 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 117.97 0.35 . . . . 0.0 111.449 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 tt -153.23 -26.15 0.15 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.711 0.404 . . . . 0.0 111.737 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -69.22 -16.23 63.56 Favored 'General case' 0 C--N 1.34 0.178 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -67.32 116.18 7.8 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.243 0 O-C-N 122.197 -0.315 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 78.9 t90 . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -51.22 -17.48 0.7 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 118.868 2.914 . . . . 0.0 118.868 -174.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -66.07 -13.84 60.7 Favored 'General case' 0 N--CA 1.462 0.173 0 O-C-N 121.754 -0.591 . . . . 0.0 111.058 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -13.54 58.64 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.245 0.618 . . . . 0.0 111.488 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.0 tt -65.12 -25.05 67.6 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 118.019 0.372 . . . . 0.0 110.98 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 m -68.99 -11.86 61.16 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 122.75 0.42 . . . . 0.0 111.918 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -85.48 -20.52 29.59 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.68 0.392 . . . . 0.0 111.177 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.7 mt -75.0 -21.49 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 122.589 0.355 . . . . 0.0 111.415 -173.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -62.49 -24.76 67.64 Favored 'General case' 0 CA--C 1.529 0.163 0 O-C-N 121.751 -0.593 . . . . 0.0 112.143 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.3 p -77.22 -2.34 34.12 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.778 -0.576 . . . . 0.0 111.424 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -122.45 -23.05 5.3 Favored 'General case' 0 C--N 1.338 0.093 0 C-N-CA 123.582 0.753 . . . . 0.0 110.571 175.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -85.74 -19.38 30.89 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.503 0.721 . . . . 0.0 110.895 176.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -137.06 -24.43 1.11 Allowed 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 122.678 0.391 . . . . 0.0 111.66 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 t0 53.8 37.29 26.05 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.981 0.896 . . . . 0.0 113.24 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.006 0 O-C-N 121.467 -0.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 80.3 t90 . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -52.1 -17.5 1.09 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 118.861 2.911 . . . . 0.0 118.861 -174.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -61.73 -17.7 56.84 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 121.846 -0.534 . . . . 0.0 111.609 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -67.2 -13.24 61.77 Favored 'General case' 0 N--CA 1.458 -0.048 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 176.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.433 HD13 ' C ' ' A' ' 5' ' ' LEU . 3.0 tm? -64.7 -42.67 95.12 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 t -77.01 -8.63 57.76 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.465 0.306 . . . . 0.0 111.363 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -81.21 -23.46 38.1 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 122.587 0.355 . . . . 0.0 110.794 -179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.3 mt -75.45 -27.41 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 122.935 0.494 . . . . 0.0 111.104 -178.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -66.95 150.52 49.11 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 122.07 -0.394 . . . . 0.0 110.221 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.9 m 51.24 26.57 3.03 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 124.131 0.972 . . . . 0.0 112.963 -176.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.0 ttt85 -141.92 -34.7 0.46 Allowed 'General case' 0 C--N 1.34 0.153 0 C-N-CA 123.169 0.588 . . . . 0.0 110.116 176.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 tt -82.23 -18.71 41.61 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.823 0.449 . . . . 0.0 110.92 173.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -127.93 0.26 5.96 Favored 'General case' 0 C--N 1.34 0.186 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -177.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -68.22 118.77 11.78 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 176.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.151 0 CA-C-N 116.885 -0.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.5 t80 . . . . . 0 CA--C 1.531 0.223 0 N-CA-C 118.785 2.883 . . . . 0.0 118.785 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -66.27 -15.82 63.52 Favored 'General case' 0 CA--C 1.526 0.047 0 O-C-N 121.538 -0.726 . . . . 0.0 111.097 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -13.41 60.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.929 0.492 . . . . 0.0 111.912 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.9 tp -65.61 -28.16 68.92 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 117.938 0.335 . . . . 0.0 110.779 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 t -66.83 -17.7 65.01 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 122.332 -0.23 . . . . 0.0 111.401 -178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -74.3 -27.71 60.85 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.573 0.349 . . . . 0.0 110.205 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 70.9 mt -79.05 -32.45 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -76.94 -34.23 57.64 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.192 -0.318 . . . . 0.0 111.295 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.2 p -71.67 -23.75 61.72 Favored 'General case' 0 N--CA 1.457 -0.117 0 O-C-N 121.995 -0.441 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.4 ttt85 -65.9 -28.93 69.31 Favored 'General case' 0 CA--C 1.527 0.07 0 C-N-CA 122.357 0.263 . . . . 0.0 110.641 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -92.31 -33.34 14.66 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.176 0.59 . . . . 0.0 109.929 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -74.92 -39.18 61.54 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -174.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 p30 . . . . . 0 CA--C 1.53 0.202 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 179.64 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 t80 . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 119.085 2.994 . . . . 0.0 119.085 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -61.12 -21.64 63.91 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 121.572 -0.705 . . . . 0.0 111.454 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.5 -6.21 44.97 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.64 -27.2 69.06 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 118.55 0.614 . . . . 0.0 109.722 175.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p -63.46 -15.87 59.01 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.532 0.333 . . . . 0.0 111.289 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -70.79 -30.74 67.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.378 0.271 . . . . 0.0 110.427 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mp -76.06 -38.78 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -71.89 -23.53 61.51 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.232 0.213 . . . . 0.0 110.785 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -70.66 -27.29 63.91 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 117.663 0.211 . . . . 0.0 110.946 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -79.59 -23.54 42.65 Favored 'General case' 0 C--N 1.339 0.13 0 O-C-N 122.252 -0.28 . . . . 0.0 110.792 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -80.5 -28.74 37.39 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 122.679 0.392 . . . . 0.0 109.961 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -79.45 -24.43 42.44 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.152 0.581 . . . . 0.0 111.189 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.4 t0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 178.392 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.3 t80 . . . . . 0 CA--C 1.534 0.359 0 N-CA-C 118.068 2.618 . . . . 0.0 118.068 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -67.73 -13.89 62.48 Favored 'General case' 0 C--N 1.338 0.095 0 O-C-N 121.932 -0.48 . . . . 0.0 111.795 -178.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.9 mmm-85 -132.77 -20.67 2.24 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 123.387 0.675 . . . . 0.0 112.75 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 66.3 tp -72.36 -31.49 65.65 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.581 0.628 . . . . 0.0 110.523 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.7 p -70.38 -13.71 62.26 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 121.99 0.116 . . . . 0.0 111.201 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -85.24 -36.92 20.61 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 122.741 0.416 . . . . 0.0 110.896 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 93.6 mt -65.49 -26.55 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -172.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -67.38 -23.08 65.54 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.436 0.562 . . . . 0.0 111.55 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.8 p -68.31 -14.86 63.3 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 121.781 -0.574 . . . . 0.0 110.899 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -80.2 -7.72 59.1 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 123.143 0.577 . . . . 0.0 112.411 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 tt -123.97 -21.25 5.14 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.459 0.704 . . . . 0.0 110.012 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -88.51 -2.14 58.44 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 122.841 0.456 . . . . 0.0 111.69 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.5 p30 . . . . . 0 CA--C 1.53 0.187 0 N-CA-C 114.892 1.442 . . . . 0.0 114.892 178.387 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.255 5.3 t80 . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 118.593 2.812 . . . . 0.0 118.593 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -66.23 -20.55 66.15 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 121.35 -0.844 . . . . 0.0 110.858 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.401 ' HD3' ' HA ' ' A' ' 4' ' ' ARG . 15.6 mmt85 -78.24 -27.52 47.66 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 117.735 0.243 . . . . 0.0 111.652 174.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.1 mt -73.42 -41.68 62.99 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 175.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -60.74 -22.82 64.41 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.719 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 -76.77 -40.29 48.75 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.457 0.303 . . . . 0.0 110.376 176.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.8 mt -69.76 -44.85 78.79 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 C-N-CA 122.402 0.281 . . . . 0.0 110.815 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -67.68 -21.14 65.35 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.0 t -67.14 -24.48 65.9 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 118.283 0.492 . . . . 0.0 110.667 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -72.9 -24.53 60.85 Favored 'General case' 0 C--N 1.339 0.147 0 O-C-N 122.428 -0.17 . . . . 0.0 110.878 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tt -84.5 -30.02 25.52 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.726 0.41 . . . . 0.0 109.929 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -79.63 -30.42 41.33 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 122.153 0.181 . . . . 0.0 111.361 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 . . . . . 0 CA--C 1.529 0.152 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 175.122 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.256 6.6 t80 . . . . . 0 CA--C 1.53 0.184 0 N-CA-C 118.656 2.835 . . . . 0.0 118.656 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -64.17 -20.45 66.01 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.308 -0.87 . . . . 0.0 111.001 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 4' ' ' ARG . 18.5 mmt85 -80.06 -19.39 47.65 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 174.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.2 mt -83.09 -43.38 16.33 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 175.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t -58.78 -25.81 63.45 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 175.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -70.59 -43.82 68.58 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.695 0.398 . . . . 0.0 110.799 176.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 91.7 mt -69.43 -42.71 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.118 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -70.45 -26.47 63.67 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 118.114 0.415 . . . . 0.0 111.844 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 t -65.95 -24.4 66.8 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 118.462 0.574 . . . . 0.0 111.225 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.3 mtp-105 -71.81 -7.55 48.96 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tt -120.19 -20.24 7.43 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.571 0.748 . . . . 0.0 110.008 176.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -96.37 -6.9 36.52 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.1 p30 . . . . . 0 CA--C 1.531 0.232 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 175.96 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.255 43.3 m-85 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 116.868 2.173 . . . . 0.0 116.868 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.0 p80 -79.22 -19.64 50.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.538 176.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -85.29 31.62 0.57 Allowed 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.431 0.692 . . . . 0.0 110.938 176.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.8 tp -55.72 -28.49 56.06 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 t -64.76 -22.06 66.9 Favored 'General case' 0 C--O 1.232 0.174 0 O-C-N 121.945 -0.472 . . . . 0.0 111.279 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -76.81 -32.75 57.83 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.05 0.54 . . . . 0.0 110.221 178.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 59.8 mt -69.35 -34.67 63.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 O-C-N 122.139 -0.35 . . . . 0.0 110.075 -176.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -69.93 -26.01 63.94 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 122.101 -0.374 . . . . 0.0 110.902 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.1 t -77.98 -33.98 51.16 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -71.07 -25.68 62.73 Favored 'General case' 0 C--N 1.337 0.058 0 C-N-CA 122.353 0.261 . . . . 0.0 110.732 176.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -77.34 -30.87 54.11 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.685 0.394 . . . . 0.0 110.162 174.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -79.16 -37.42 38.47 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.496 0.318 . . . . 0.0 110.651 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 177.073 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.254 9.5 t80 . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 118.882 2.919 . . . . 0.0 118.882 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -62.4 -17.43 59.18 Favored 'General case' 0 C--N 1.339 0.133 0 O-C-N 121.554 -0.716 . . . . 0.0 111.448 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -67.6 -15.96 63.92 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.1 -36.24 79.46 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.52 0.6 . . . . 0.0 109.676 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m -66.86 -8.79 31.51 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.85 0.46 . . . . 0.0 111.307 176.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -99.01 -33.98 10.6 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.027 0.531 . . . . 0.0 110.916 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -75.42 -44.2 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 122.386 0.275 . . . . 0.0 110.458 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -71.94 -25.48 61.91 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.6 p -80.09 -30.16 39.15 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 118.305 0.502 . . . . 0.0 110.259 177.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.7 ttt85 -72.96 -31.23 64.41 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -74.03 -29.01 61.7 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.836 0.454 . . . . 0.0 110.065 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -78.27 -29.92 48.25 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 122.315 0.246 . . . . 0.0 110.818 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 177.886 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.263 41.6 m-85 . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 116.385 1.994 . . . . 0.0 116.385 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -76.78 -18.45 58.43 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.792 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -80.36 21.85 0.59 Allowed 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 123.372 0.669 . . . . 0.0 111.843 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 67.6 tp -57.54 -27.82 62.95 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 122.012 -0.43 . . . . 0.0 111.358 -176.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.5 p -67.64 -17.94 64.78 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -76.28 -29.58 57.46 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 122.748 0.419 . . . . 0.0 110.445 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.1 mt -74.13 -38.24 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 O-C-N 122.359 -0.213 . . . . 0.0 110.502 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -73.29 -30.89 63.71 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.7 p -75.87 -24.84 55.75 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 118.221 0.464 . . . . 0.0 110.831 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -72.25 -32.54 66.77 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 tt -76.69 -29.51 56.34 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 122.565 0.346 . . . . 0.0 110.104 177.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -75.15 -28.5 60.14 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 122.365 0.266 . . . . 0.0 110.804 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 114.949 1.462 . . . . 0.0 114.949 177.791 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.262 44.2 m-85 . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -77.27 -15.77 59.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.711 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -70.38 -10.62 59.55 Favored 'General case' 0 C--O 1.228 -0.049 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.64 -44.4 74.26 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 118.372 0.533 . . . . 0.0 109.856 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 t -68.93 -17.12 63.91 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 120.411 0.148 . . . . 0.0 111.324 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -71.63 -34.66 69.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.1 mt -71.1 -36.78 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -71.25 -28.92 64.5 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 122.189 -0.319 . . . . 0.0 110.399 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.2 m -74.13 -30.51 62.33 Favored 'General case' 0 C--N 1.338 0.106 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -73.47 -32.65 64.44 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 122.64 0.376 . . . . 0.0 110.273 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -73.6 -29.36 62.34 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.873 0.469 . . . . 0.0 110.437 176.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -77.46 -28.83 52.47 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.494 0.318 . . . . 0.0 110.66 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 . . . . . 0 CA--C 1.531 0.248 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 177.554 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.263 44.2 m-85 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -77.45 -20.07 55.03 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.843 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.38 10.39 4.67 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.197 0.599 . . . . 0.0 112.113 178.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.5 tp -59.9 -27.1 66.45 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.556 0.343 . . . . 0.0 111.415 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.8 p -66.22 -12.74 58.02 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.345 0.258 . . . . 0.0 111.519 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -67.86 -26.54 66.08 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 122.705 0.402 . . . . 0.0 110.801 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 70.0 mt -85.74 -35.51 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 O-C-N 122.406 -0.184 . . . . 0.0 110.526 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -75.43 -23.02 56.9 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.3 p -67.6 -21.7 65.39 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.409 0.549 . . . . 0.0 110.378 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -74.06 -27.36 60.88 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 122.469 0.308 . . . . 0.0 110.667 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -81.26 -30.23 34.15 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -77.26 -21.88 53.01 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 116.839 -0.164 . . . . 0.0 111.013 178.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 . . . . . 0 CA--C 1.53 0.176 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 176.739 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.273 46.2 m-85 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -82.45 -12.48 57.82 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.38 0.672 . . . . 0.0 111.23 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -12.15 49.07 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.424 0.69 . . . . 0.0 111.372 -179.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 61.9 tp -63.28 -25.2 68.21 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.653 0.381 . . . . 0.0 110.669 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -62.61 -19.68 64.0 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 122.307 -0.245 . . . . 0.0 111.468 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -66.78 -30.34 70.52 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.946 -0.471 . . . . 0.0 110.201 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.7 mm -76.53 -39.17 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -73.8 -19.99 60.6 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.593 0.357 . . . . 0.0 111.213 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -67.67 -20.38 65.3 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 117.741 0.246 . . . . 0.0 111.245 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.7 mtp-105 -76.32 -27.07 56.39 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 122.386 0.274 . . . . 0.0 110.762 177.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -85.23 -26.69 26.55 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 177.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -76.47 -21.72 55.49 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.025 0.53 . . . . 0.0 111.276 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 179.047 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 t80 . . . . . 0 CA--C 1.534 0.359 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -65.6 -17.1 64.34 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 122.048 -0.407 . . . . 0.0 111.626 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 35.2 mmt-85 -67.36 -17.98 64.97 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 38.2 mt -75.18 -46.09 36.39 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.3 t -60.97 -24.26 65.96 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.5 0.19 . . . . 0.0 110.658 178.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -71.19 -44.87 64.58 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 122.817 0.447 . . . . 0.0 110.823 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -76.06 -40.45 37.44 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.786 -178.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -67.8 -21.2 65.24 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.8 m -71.39 -30.4 66.08 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 118.078 0.399 . . . . 0.0 110.843 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -79.5 -24.46 42.26 Favored 'General case' 0 N--CA 1.457 -0.097 0 O-C-N 122.257 -0.277 . . . . 0.0 111.076 177.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tt -76.23 -30.74 58.05 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -77.65 -26.08 50.13 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 122.576 0.35 . . . . 0.0 110.761 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.0 t0 . . . . . 0 CA--C 1.535 0.388 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.689 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.8 t80 . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -66.76 -14.39 62.54 Favored 'General case' 0 C--N 1.339 0.152 0 O-C-N 121.636 -0.665 . . . . 0.0 110.812 -177.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -16.24 59.97 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.455 0.702 . . . . 0.0 111.259 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.5 -27.44 67.78 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.01 0.368 . . . . 0.0 110.627 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -69.94 -13.89 62.46 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 122.287 0.235 . . . . 0.0 111.565 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -74.07 -30.9 62.61 Favored 'General case' 0 C--N 1.338 0.088 0 C-N-CA 122.333 0.253 . . . . 0.0 110.643 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 91.2 mt -66.21 -30.74 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 122.526 0.331 . . . . 0.0 110.977 -173.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -72.46 -20.2 61.43 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 122.425 0.29 . . . . 0.0 111.756 -178.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.7 p -67.74 -14.54 63.03 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 118.143 0.429 . . . . 0.0 111.071 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -77.4 -13.85 59.84 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.389 0.676 . . . . 0.0 112.164 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -126.02 -20.02 4.65 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 122.587 0.355 . . . . 0.0 110.786 178.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -74.02 -14.9 61.08 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.235 0.214 . . . . 0.0 111.202 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.8 p30 . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 178.787 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.26 47.0 m-85 . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -82.55 -11.92 58.1 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.338 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -12.61 55.92 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 123.556 0.743 . . . . 0.0 111.133 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 66.3 tp -63.41 -24.8 67.99 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.11 -0.369 . . . . 0.0 110.608 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 t -64.05 -18.05 63.97 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 117.584 0.174 . . . . 0.0 111.431 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -67.7 -28.92 68.08 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 122.062 -0.399 . . . . 0.0 110.23 178.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.8 mp -80.44 -39.76 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 -178.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -74.92 -33.89 62.05 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.14 -0.35 . . . . 0.0 111.316 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.8 p -74.45 -19.58 60.34 Favored 'General case' 0 C--N 1.333 -0.114 0 O-C-N 122.333 -0.229 . . . . 0.0 111.039 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -72.91 -33.83 66.23 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 110.17 -0.308 . . . . 0.0 110.17 176.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -77.55 -28.76 51.93 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -73.09 -23.73 60.56 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.893 0.477 . . . . 0.0 111.16 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.0 t0 . . . . . 0 CA--C 1.537 0.475 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.629 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.321 13.2 t80 . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 120.812 3.634 . . . . 0.0 120.812 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -67.04 -15.05 63.48 Favored 'General case' 0 N--CA 1.457 -0.111 0 O-C-N 121.394 -0.816 . . . . 0.0 110.826 -174.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.21 -15.67 62.71 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.5 0.72 . . . . 0.0 111.53 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.2 tp -64.59 -27.17 68.77 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-N 117.79 0.268 . . . . 0.0 110.672 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.4 p -64.73 -14.62 59.39 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 122.294 -0.254 . . . . 0.0 111.523 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -79.49 -33.52 42.13 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.083 -0.386 . . . . 0.0 110.709 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.7 mt -71.03 -30.73 42.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 122.228 0.211 . . . . 0.0 111.145 -172.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -70.6 -17.58 62.9 Favored 'General case' 0 CA--C 1.529 0.138 0 O-C-N 121.997 -0.439 . . . . 0.0 111.882 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.1 p -66.91 -20.88 65.99 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.291 0.496 . . . . 0.0 110.401 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.0 mtp-105 -74.61 -24.47 58.87 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 122.73 0.412 . . . . 0.0 111.46 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -90.25 -34.59 15.72 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -80.27 -16.89 53.66 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 112.557 0.576 . . . . 0.0 112.557 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.8 t0 . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 121.004 0.431 . . . . 0.0 112.109 179.366 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.9 t80 . . . . . 0 CA--C 1.532 0.28 0 N-CA-C 118.988 2.958 . . . . 0.0 118.988 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -61.96 -18.51 60.63 Favored 'General case' 0 N--CA 1.461 0.095 0 O-C-N 121.665 -0.647 . . . . 0.0 111.389 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.9 mmt-85 -66.44 -14.74 62.62 Favored 'General case' 0 CA--C 1.523 -0.077 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.25 -34.76 75.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 118.652 0.66 . . . . 0.0 110.119 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.9 t -66.04 -14.96 62.6 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 122.557 -0.089 . . . . 0.0 110.947 177.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -88.38 -40.61 13.41 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.625 0.37 . . . . 0.0 110.584 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.5 mt -69.99 -42.01 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 122.249 0.22 . . . . 0.0 110.993 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -71.33 -35.24 71.13 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 122.159 -0.338 . . . . 0.0 111.117 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.2 t -69.56 -12.93 62.05 Favored 'General case' 0 C--O 1.233 0.188 0 O-C-N 121.99 -0.444 . . . . 0.0 111.52 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -71.6 -18.46 62.22 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 123.173 0.589 . . . . 0.0 111.879 -177.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -146.59 -37.72 0.23 Allowed 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 117.663 0.21 . . . . 0.0 111.371 -177.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -72.86 -14.37 61.48 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -173.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 . . . . . 0 CA--C 1.53 0.177 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 176.352 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.274 46.3 m-85 . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 116.936 2.199 . . . . 0.0 116.936 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -135.97 -15.39 1.77 Allowed 'General case' 0 C--N 1.335 -0.041 0 C-N-CA 123.442 0.697 . . . . 0.0 110.078 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.6 tpp85 -79.86 -7.38 58.69 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.452 1.101 . . . . 0.0 111.887 -175.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -60.05 -27.27 66.81 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.942 -0.474 . . . . 0.0 110.807 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 m -64.22 -13.05 46.53 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -75.55 -33.26 60.66 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 122.01 -0.431 . . . . 0.0 110.475 177.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mp -70.36 -35.25 61.59 Favored 'Isoleucine or valine' 0 C--O 1.231 0.131 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -175.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -70.38 -14.33 62.52 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.4 p -69.63 -23.34 63.48 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.131 0.423 . . . . 0.0 110.233 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.9 mtp-105 -74.37 -25.15 59.32 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 122.321 0.248 . . . . 0.0 110.899 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -85.37 -28.58 25.09 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -74.45 -28.54 61.09 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 122.506 0.322 . . . . 0.0 110.668 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 . . . . . 0 CA--C 1.533 0.304 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 177.66 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.262 43.3 m-85 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 116.591 2.071 . . . . 0.0 116.591 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -76.19 -18.25 59.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.722 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.54 11.16 3.92 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.147 0.579 . . . . 0.0 112.459 178.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.3 tp -57.84 -31.76 66.96 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.652 0.381 . . . . 0.0 111.111 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.5 m -63.43 -12.16 28.99 Favored 'General case' 0 C--O 1.231 0.091 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -74.66 -33.72 62.56 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 117.951 0.341 . . . . 0.0 110.422 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 53.6 mt -71.5 -30.86 40.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 O-C-N 122.289 -0.257 . . . . 0.0 110.467 -176.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -69.27 -0.76 6.62 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.465 0.706 . . . . 0.0 112.34 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -138.14 -7.68 1.57 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 178.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.3 ttt-85 -77.28 -28.97 53.6 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 117.97 0.35 . . . . 0.0 111.449 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 tt -153.23 -26.15 0.15 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.711 0.404 . . . . 0.0 111.737 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -69.22 -16.23 63.56 Favored 'General case' 0 C--N 1.34 0.178 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 t0 . . . . . 0 N--CA 1.455 -0.194 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 179.01 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.1 t80 . . . . . 0 CA--C 1.535 0.402 0 N-CA-C 118.868 2.914 . . . . 0.0 118.868 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -66.07 -13.84 60.7 Favored 'General case' 0 N--CA 1.462 0.173 0 O-C-N 121.754 -0.591 . . . . 0.0 111.058 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -13.54 58.64 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.245 0.618 . . . . 0.0 111.488 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.0 tt -65.12 -25.05 67.6 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 118.019 0.372 . . . . 0.0 110.98 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 m -68.99 -11.86 61.16 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 122.75 0.42 . . . . 0.0 111.918 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -85.48 -20.52 29.59 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.68 0.392 . . . . 0.0 111.177 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.7 mt -75.0 -21.49 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 122.589 0.355 . . . . 0.0 111.415 -173.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -62.49 -24.76 67.64 Favored 'General case' 0 CA--C 1.529 0.163 0 O-C-N 121.751 -0.593 . . . . 0.0 112.143 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.3 p -77.22 -2.34 34.12 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.778 -0.576 . . . . 0.0 111.424 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -122.45 -23.05 5.3 Favored 'General case' 0 C--N 1.338 0.093 0 C-N-CA 123.582 0.753 . . . . 0.0 110.571 175.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -85.74 -19.38 30.89 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.503 0.721 . . . . 0.0 110.895 176.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -137.06 -24.43 1.11 Allowed 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 122.678 0.391 . . . . 0.0 111.66 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 t0 . . . . . 0 CA--C 1.535 0.402 0 CA-C-O 121.981 0.896 . . . . 0.0 113.24 -179.611 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.7 t80 . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 118.861 2.911 . . . . 0.0 118.861 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -61.73 -17.7 56.84 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 121.846 -0.534 . . . . 0.0 111.609 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -67.2 -13.24 61.77 Favored 'General case' 0 N--CA 1.458 -0.048 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 176.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.433 HD13 ' C ' ' A' ' 5' ' ' LEU . 3.0 tm? -64.7 -42.67 95.12 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 t -77.01 -8.63 57.76 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.465 0.306 . . . . 0.0 111.363 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -81.21 -23.46 38.1 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 122.587 0.355 . . . . 0.0 110.794 -179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.3 mt -75.45 -27.41 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 122.935 0.494 . . . . 0.0 111.104 -178.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -66.95 150.52 49.11 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 122.07 -0.394 . . . . 0.0 110.221 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.9 m 51.24 26.57 3.03 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 124.131 0.972 . . . . 0.0 112.963 -176.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.0 ttt85 -141.92 -34.7 0.46 Allowed 'General case' 0 C--N 1.34 0.153 0 C-N-CA 123.169 0.588 . . . . 0.0 110.116 176.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 tt -82.23 -18.71 41.61 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.823 0.449 . . . . 0.0 110.92 173.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -127.93 0.26 5.96 Favored 'General case' 0 C--N 1.34 0.186 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -177.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.6 t0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 176.789 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 76.1 t90 . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -51.41 -17.63 0.82 Allowed 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 118.785 2.883 . . . . 0.0 118.785 -174.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -66.27 -15.82 63.52 Favored 'General case' 0 CA--C 1.526 0.047 0 O-C-N 121.538 -0.726 . . . . 0.0 111.097 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -13.41 60.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.929 0.492 . . . . 0.0 111.912 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.9 tp -65.61 -28.16 68.92 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 117.938 0.335 . . . . 0.0 110.779 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 t -66.83 -17.7 65.01 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 122.332 -0.23 . . . . 0.0 111.401 -178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -74.3 -27.71 60.85 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.573 0.349 . . . . 0.0 110.205 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 70.9 mt -79.05 -32.45 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -76.94 -34.23 57.64 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.192 -0.318 . . . . 0.0 111.295 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.2 p -71.67 -23.75 61.72 Favored 'General case' 0 N--CA 1.457 -0.117 0 O-C-N 121.995 -0.441 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.4 ttt85 -65.9 -28.93 69.31 Favored 'General case' 0 CA--C 1.527 0.07 0 C-N-CA 122.357 0.263 . . . . 0.0 110.641 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -92.31 -33.34 14.66 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.176 0.59 . . . . 0.0 109.929 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -74.92 -39.18 61.54 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -174.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 p30 -151.61 7.71 0.5 Allowed 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.066 0 O-C-N 121.669 -0.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 79.8 t90 . . . . . 0 N--CA 1.47 0.553 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -49.74 -19.0 0.55 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 119.085 2.994 . . . . 0.0 119.085 -174.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -61.12 -21.64 63.91 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 121.572 -0.705 . . . . 0.0 111.454 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.5 -6.21 44.97 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.64 -27.2 69.06 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 118.55 0.614 . . . . 0.0 109.722 175.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p -63.46 -15.87 59.01 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.532 0.333 . . . . 0.0 111.289 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -70.79 -30.74 67.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.378 0.271 . . . . 0.0 110.427 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mp -76.06 -38.78 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -71.89 -23.53 61.51 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.232 0.213 . . . . 0.0 110.785 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -70.66 -27.29 63.91 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 117.663 0.211 . . . . 0.0 110.946 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -79.59 -23.54 42.65 Favored 'General case' 0 C--N 1.339 0.13 0 O-C-N 122.252 -0.28 . . . . 0.0 110.792 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -80.5 -28.74 37.39 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 122.679 0.392 . . . . 0.0 109.961 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -79.45 -24.43 42.44 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.152 0.581 . . . . 0.0 111.189 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -67.61 116.1 7.94 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.174 0 O-C-N 122.173 -0.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 75.2 t90 . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -50.17 -24.19 2.64 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 118.068 2.618 . . . . 0.0 118.068 -175.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -67.73 -13.89 62.48 Favored 'General case' 0 C--N 1.338 0.095 0 O-C-N 121.932 -0.48 . . . . 0.0 111.795 -178.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.9 mmm-85 -132.77 -20.67 2.24 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 123.387 0.675 . . . . 0.0 112.75 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 66.3 tp -72.36 -31.49 65.65 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.581 0.628 . . . . 0.0 110.523 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.7 p -70.38 -13.71 62.26 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 121.99 0.116 . . . . 0.0 111.201 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -85.24 -36.92 20.61 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 122.741 0.416 . . . . 0.0 110.896 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 93.6 mt -65.49 -26.55 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -172.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -67.38 -23.08 65.54 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.436 0.562 . . . . 0.0 111.55 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.8 p -68.31 -14.86 63.3 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 121.781 -0.574 . . . . 0.0 110.899 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -80.2 -7.72 59.1 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 123.143 0.577 . . . . 0.0 112.411 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 tt -123.97 -21.25 5.14 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.459 0.704 . . . . 0.0 110.012 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -88.51 -2.14 58.44 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 122.841 0.456 . . . . 0.0 111.69 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.5 p30 -73.3 -1.74 19.21 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 114.892 1.442 . . . . 0.0 114.892 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.178 0 O-C-N 122.121 -0.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 76.0 t90 . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.255 5.3 t80 -51.52 -17.45 0.82 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 118.593 2.812 . . . . 0.0 118.593 -174.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -66.23 -20.55 66.15 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 121.35 -0.844 . . . . 0.0 110.858 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.401 ' HD3' ' HA ' ' A' ' 4' ' ' ARG . 15.6 mmt85 -78.24 -27.52 47.66 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 117.735 0.243 . . . . 0.0 111.652 174.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.1 mt -73.42 -41.68 62.99 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 175.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -60.74 -22.82 64.41 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.719 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 -76.77 -40.29 48.75 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.457 0.303 . . . . 0.0 110.376 176.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.8 mt -69.76 -44.85 78.79 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 C-N-CA 122.402 0.281 . . . . 0.0 110.815 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -67.68 -21.14 65.35 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.0 t -67.14 -24.48 65.9 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 118.283 0.492 . . . . 0.0 110.667 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -72.9 -24.53 60.85 Favored 'General case' 0 C--N 1.339 0.147 0 O-C-N 122.428 -0.17 . . . . 0.0 110.878 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tt -84.5 -30.02 25.52 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.726 0.41 . . . . 0.0 109.929 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -79.63 -30.42 41.33 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 122.153 0.181 . . . . 0.0 111.361 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -76.2 2.07 14.13 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 175.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.218 0 O-C-N 121.961 -0.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 74.0 t90 . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.256 6.6 t80 -51.87 -18.8 1.43 Allowed 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 118.656 2.835 . . . . 0.0 118.656 -174.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -64.17 -20.45 66.01 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.308 -0.87 . . . . 0.0 111.001 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 4' ' ' ARG . 18.5 mmt85 -80.06 -19.39 47.65 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 174.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.2 mt -83.09 -43.38 16.33 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 175.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t -58.78 -25.81 63.45 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 175.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -70.59 -43.82 68.58 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.695 0.398 . . . . 0.0 110.799 176.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 91.7 mt -69.43 -42.71 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.118 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -70.45 -26.47 63.67 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 118.114 0.415 . . . . 0.0 111.844 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 t -65.95 -24.4 66.8 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 118.462 0.574 . . . . 0.0 111.225 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.3 mtp-105 -71.81 -7.55 48.96 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tt -120.19 -20.24 7.43 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.571 0.748 . . . . 0.0 110.008 176.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -96.37 -6.9 36.52 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.1 p30 -68.52 -3.14 10.54 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 175.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.179 0 O-C-N 122.035 -0.416 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 82.8 t90 . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 110.623 -0.14 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.255 43.3 m-85 -77.38 101.2 6.24 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 116.868 2.173 . . . . 0.0 116.868 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.0 p80 -79.22 -19.64 50.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.538 176.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -85.29 31.62 0.57 Allowed 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.431 0.692 . . . . 0.0 110.938 176.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.8 tp -55.72 -28.49 56.06 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 t -64.76 -22.06 66.9 Favored 'General case' 0 C--O 1.232 0.174 0 O-C-N 121.945 -0.472 . . . . 0.0 111.279 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -76.81 -32.75 57.83 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.05 0.54 . . . . 0.0 110.221 178.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 59.8 mt -69.35 -34.67 63.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 O-C-N 122.139 -0.35 . . . . 0.0 110.075 -176.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -69.93 -26.01 63.94 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 122.101 -0.374 . . . . 0.0 110.902 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.1 t -77.98 -33.98 51.16 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -71.07 -25.68 62.73 Favored 'General case' 0 C--N 1.337 0.058 0 C-N-CA 122.353 0.261 . . . . 0.0 110.732 176.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -77.34 -30.87 54.11 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.685 0.394 . . . . 0.0 110.162 174.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -79.16 -37.42 38.47 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.496 0.318 . . . . 0.0 110.651 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -75.79 0.75 16.89 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.092 0 O-C-N 122.068 -0.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 78.1 t90 . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.254 9.5 t80 -51.96 -17.88 1.17 Allowed 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 118.882 2.919 . . . . 0.0 118.882 -174.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -62.4 -17.43 59.18 Favored 'General case' 0 C--N 1.339 0.133 0 O-C-N 121.554 -0.716 . . . . 0.0 111.448 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -67.6 -15.96 63.92 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.1 -36.24 79.46 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.52 0.6 . . . . 0.0 109.676 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m -66.86 -8.79 31.51 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.85 0.46 . . . . 0.0 111.307 176.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -99.01 -33.98 10.6 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.027 0.531 . . . . 0.0 110.916 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -75.42 -44.2 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 122.386 0.275 . . . . 0.0 110.458 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -71.94 -25.48 61.91 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.6 p -80.09 -30.16 39.15 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 118.305 0.502 . . . . 0.0 110.259 177.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.7 ttt85 -72.96 -31.23 64.41 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -74.03 -29.01 61.7 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.836 0.454 . . . . 0.0 110.065 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -78.27 -29.92 48.25 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 122.315 0.246 . . . . 0.0 110.818 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -76.29 0.46 19.22 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.205 0 O-C-N 122.067 -0.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 80.1 t90 . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 110.727 -0.101 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.263 41.6 m-85 -78.67 101.01 7.28 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 116.385 1.994 . . . . 0.0 116.385 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -76.78 -18.45 58.43 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.792 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -80.36 21.85 0.59 Allowed 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 123.372 0.669 . . . . 0.0 111.843 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 67.6 tp -57.54 -27.82 62.95 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 122.012 -0.43 . . . . 0.0 111.358 -176.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.5 p -67.64 -17.94 64.78 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -76.28 -29.58 57.46 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 122.748 0.419 . . . . 0.0 110.445 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.1 mt -74.13 -38.24 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 O-C-N 122.359 -0.213 . . . . 0.0 110.502 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -73.29 -30.89 63.71 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.7 p -75.87 -24.84 55.75 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 118.221 0.464 . . . . 0.0 110.831 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -72.25 -32.54 66.77 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 tt -76.69 -29.51 56.34 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 122.565 0.346 . . . . 0.0 110.104 177.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -75.15 -28.5 60.14 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 122.365 0.266 . . . . 0.0 110.804 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -77.8 0.36 24.07 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 114.949 1.462 . . . . 0.0 114.949 177.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.167 0 O-C-N 122.113 -0.367 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 84.2 t90 . . . . . 0 N--CA 1.473 0.699 0 CA-C-O 120.188 0.042 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.262 44.2 m-85 -75.96 98.44 4.26 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 -179.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -77.27 -15.77 59.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.711 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -70.38 -10.62 59.55 Favored 'General case' 0 C--O 1.228 -0.049 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.64 -44.4 74.26 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 118.372 0.533 . . . . 0.0 109.856 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 t -68.93 -17.12 63.91 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 120.411 0.148 . . . . 0.0 111.324 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -71.63 -34.66 69.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.1 mt -71.1 -36.78 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -71.25 -28.92 64.5 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 122.189 -0.319 . . . . 0.0 110.399 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.2 m -74.13 -30.51 62.33 Favored 'General case' 0 C--N 1.338 0.106 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -73.47 -32.65 64.44 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 122.64 0.376 . . . . 0.0 110.273 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -73.6 -29.36 62.34 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.873 0.469 . . . . 0.0 110.437 176.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -77.46 -28.83 52.47 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.494 0.318 . . . . 0.0 110.66 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -78.34 1.49 21.7 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 177.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.089 0 O-C-N 121.997 -0.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 82.9 t90 . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 110.613 -0.143 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.263 44.2 m-85 -76.76 100.36 5.43 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -77.45 -20.07 55.03 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.843 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.38 10.39 4.67 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.197 0.599 . . . . 0.0 112.113 178.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.5 tp -59.9 -27.1 66.45 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.556 0.343 . . . . 0.0 111.415 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.8 p -66.22 -12.74 58.02 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.345 0.258 . . . . 0.0 111.519 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -67.86 -26.54 66.08 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 122.705 0.402 . . . . 0.0 110.801 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 70.0 mt -85.74 -35.51 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 O-C-N 122.406 -0.184 . . . . 0.0 110.526 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -75.43 -23.02 56.9 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.3 p -67.6 -21.7 65.39 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.409 0.549 . . . . 0.0 110.378 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -74.06 -27.36 60.88 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 122.469 0.308 . . . . 0.0 110.667 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -81.26 -30.23 34.15 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -77.26 -21.88 53.01 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 116.839 -0.164 . . . . 0.0 111.013 178.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -78.68 2.28 20.07 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 176.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.129 0 O-C-N 121.969 -0.457 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 81.0 t90 . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 110.784 -0.08 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.273 46.2 m-85 -76.81 100.82 5.62 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -82.45 -12.48 57.82 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.38 0.672 . . . . 0.0 111.23 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -12.15 49.07 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.424 0.69 . . . . 0.0 111.372 -179.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 61.9 tp -63.28 -25.2 68.21 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.653 0.381 . . . . 0.0 110.669 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -62.61 -19.68 64.0 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 122.307 -0.245 . . . . 0.0 111.468 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -66.78 -30.34 70.52 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.946 -0.471 . . . . 0.0 110.201 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.7 mm -76.53 -39.17 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -73.8 -19.99 60.6 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.593 0.357 . . . . 0.0 111.213 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -67.67 -20.38 65.3 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 117.741 0.246 . . . . 0.0 111.245 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.7 mtp-105 -76.32 -27.07 56.39 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 122.386 0.274 . . . . 0.0 110.762 177.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -85.23 -26.69 26.55 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 177.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -76.47 -21.72 55.49 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.025 0.53 . . . . 0.0 111.276 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -68.13 115.96 8.2 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.165 0 CA-C-N 116.673 -0.239 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 70.8 t90 . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -50.79 -20.62 1.33 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 -174.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -65.6 -17.1 64.34 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 122.048 -0.407 . . . . 0.0 111.626 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 35.2 mmt-85 -67.36 -17.98 64.97 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 38.2 mt -75.18 -46.09 36.39 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.3 t -60.97 -24.26 65.96 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.5 0.19 . . . . 0.0 110.658 178.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -71.19 -44.87 64.58 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 122.817 0.447 . . . . 0.0 110.823 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.9 mt -76.06 -40.45 37.44 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.786 -178.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -67.8 -21.2 65.24 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.8 m -71.39 -30.4 66.08 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 118.078 0.399 . . . . 0.0 110.843 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -79.5 -24.46 42.26 Favored 'General case' 0 N--CA 1.457 -0.097 0 O-C-N 122.257 -0.277 . . . . 0.0 111.076 177.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tt -76.23 -30.74 58.05 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -77.65 -26.08 50.13 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 122.576 0.35 . . . . 0.0 110.761 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -76.88 -4.75 45.37 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.023 0 O-C-N 121.215 -0.928 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.87 ' NE1' ' CE2' ' A' ' 1' ' ' TRP . 76.6 t90 . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -51.33 -16.61 0.57 Allowed 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 -174.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -66.76 -14.39 62.54 Favored 'General case' 0 C--N 1.339 0.152 0 O-C-N 121.636 -0.665 . . . . 0.0 110.812 -177.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -16.24 59.97 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.455 0.702 . . . . 0.0 111.259 -179.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.5 -27.44 67.78 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.01 0.368 . . . . 0.0 110.627 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -69.94 -13.89 62.46 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 122.287 0.235 . . . . 0.0 111.565 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -74.07 -30.9 62.61 Favored 'General case' 0 C--N 1.338 0.088 0 C-N-CA 122.333 0.253 . . . . 0.0 110.643 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 91.2 mt -66.21 -30.74 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 122.526 0.331 . . . . 0.0 110.977 -173.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -72.46 -20.2 61.43 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 122.425 0.29 . . . . 0.0 111.756 -178.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.7 p -67.74 -14.54 63.03 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 118.143 0.429 . . . . 0.0 111.071 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -77.4 -13.85 59.84 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.389 0.676 . . . . 0.0 112.164 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -126.02 -20.02 4.65 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 122.587 0.355 . . . . 0.0 110.786 178.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -74.02 -14.9 61.08 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.235 0.214 . . . . 0.0 111.202 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.8 p30 -74.07 -1.75 21.46 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.12 0 O-C-N 121.885 -0.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 82.6 t90 . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 110.796 -0.075 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.26 47.0 m-85 -75.51 100.37 4.51 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -82.55 -11.92 58.1 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.338 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -12.61 55.92 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 123.556 0.743 . . . . 0.0 111.133 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 66.3 tp -63.41 -24.8 67.99 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.11 -0.369 . . . . 0.0 110.608 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 t -64.05 -18.05 63.97 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 117.584 0.174 . . . . 0.0 111.431 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -67.7 -28.92 68.08 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 122.062 -0.399 . . . . 0.0 110.23 178.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.8 mp -80.44 -39.76 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 -178.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -74.92 -33.89 62.05 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.14 -0.35 . . . . 0.0 111.316 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.8 p -74.45 -19.58 60.34 Favored 'General case' 0 C--N 1.333 -0.114 0 O-C-N 122.333 -0.229 . . . . 0.0 111.039 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -72.91 -33.83 66.23 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 110.17 -0.308 . . . . 0.0 110.17 176.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -77.55 -28.76 51.93 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -73.09 -23.73 60.56 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.893 0.477 . . . . 0.0 111.16 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -77.85 -5.57 51.35 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.06 0 O-C-N 121.422 -0.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 49.4 t90 . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.321 13.2 t80 55.08 -24.68 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 120.812 3.634 . . . . 0.0 120.812 173.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -67.04 -15.05 63.48 Favored 'General case' 0 N--CA 1.457 -0.111 0 O-C-N 121.394 -0.816 . . . . 0.0 110.826 -174.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.21 -15.67 62.71 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.5 0.72 . . . . 0.0 111.53 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.2 tp -64.59 -27.17 68.77 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-N 117.79 0.268 . . . . 0.0 110.672 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.4 p -64.73 -14.62 59.39 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 122.294 -0.254 . . . . 0.0 111.523 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -79.49 -33.52 42.13 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.083 -0.386 . . . . 0.0 110.709 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.7 mt -71.03 -30.73 42.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 122.228 0.211 . . . . 0.0 111.145 -172.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -70.6 -17.58 62.9 Favored 'General case' 0 CA--C 1.529 0.138 0 O-C-N 121.997 -0.439 . . . . 0.0 111.882 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.1 p -66.91 -20.88 65.99 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.291 0.496 . . . . 0.0 110.401 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.0 mtp-105 -74.61 -24.47 58.87 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 122.73 0.412 . . . . 0.0 111.46 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -90.25 -34.59 15.72 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -80.27 -16.89 53.66 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 112.557 0.576 . . . . 0.0 112.557 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -155.69 -37.14 0.09 Allowed 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 121.004 0.431 . . . . 0.0 112.109 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.239 0 O-C-N 121.934 -0.479 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 77.9 t90 . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -51.8 -18.66 1.35 Allowed 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 118.988 2.958 . . . . 0.0 118.988 -174.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -61.96 -18.51 60.63 Favored 'General case' 0 N--CA 1.461 0.095 0 O-C-N 121.665 -0.647 . . . . 0.0 111.389 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.9 mmt-85 -66.44 -14.74 62.62 Favored 'General case' 0 CA--C 1.523 -0.077 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.25 -34.76 75.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 118.652 0.66 . . . . 0.0 110.119 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.9 t -66.04 -14.96 62.6 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 122.557 -0.089 . . . . 0.0 110.947 177.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -88.38 -40.61 13.41 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.625 0.37 . . . . 0.0 110.584 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.5 mt -69.99 -42.01 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 122.249 0.22 . . . . 0.0 110.993 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -71.33 -35.24 71.13 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 122.159 -0.338 . . . . 0.0 111.117 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.2 t -69.56 -12.93 62.05 Favored 'General case' 0 C--O 1.233 0.188 0 O-C-N 121.99 -0.444 . . . . 0.0 111.52 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -71.6 -18.46 62.22 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 123.173 0.589 . . . . 0.0 111.879 -177.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -146.59 -37.72 0.23 Allowed 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 117.663 0.21 . . . . 0.0 111.371 -177.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -72.86 -14.37 61.48 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -173.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -79.51 -0.84 34.98 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 176.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.135 0 O-C-N 122.151 -0.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 69.4 t90 . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.274 46.3 m-85 -74.07 102.65 4.27 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 116.936 2.199 . . . . 0.0 116.936 -178.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -135.97 -15.39 1.77 Allowed 'General case' 0 C--N 1.335 -0.041 0 C-N-CA 123.442 0.697 . . . . 0.0 110.078 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.6 tpp85 -79.86 -7.38 58.69 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.452 1.101 . . . . 0.0 111.887 -175.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -60.05 -27.27 66.81 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.942 -0.474 . . . . 0.0 110.807 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 m -64.22 -13.05 46.53 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -75.55 -33.26 60.66 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 122.01 -0.431 . . . . 0.0 110.475 177.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mp -70.36 -35.25 61.59 Favored 'Isoleucine or valine' 0 C--O 1.231 0.131 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -175.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -70.38 -14.33 62.52 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.4 p -69.63 -23.34 63.48 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.131 0.423 . . . . 0.0 110.233 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.9 mtp-105 -74.37 -25.15 59.32 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 122.321 0.248 . . . . 0.0 110.899 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -85.37 -28.58 25.09 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -74.45 -28.54 61.09 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 122.506 0.322 . . . . 0.0 110.668 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -76.89 2.24 15.23 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 177.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.166 0 O-C-N 121.995 -0.44 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 79.5 t90 . . . . . 0 N--CA 1.473 0.688 0 CA-C-O 119.723 -0.18 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.262 43.3 m-85 -77.28 99.43 5.5 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 116.591 2.071 . . . . 0.0 116.591 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -76.19 -18.25 59.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.722 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.54 11.16 3.92 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.147 0.579 . . . . 0.0 112.459 178.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.3 tp -57.84 -31.76 66.96 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.652 0.381 . . . . 0.0 111.111 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.5 m -63.43 -12.16 28.99 Favored 'General case' 0 C--O 1.231 0.091 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -74.66 -33.72 62.56 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 117.951 0.341 . . . . 0.0 110.422 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 53.6 mt -71.5 -30.86 40.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 O-C-N 122.289 -0.257 . . . . 0.0 110.467 -176.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -69.27 -0.76 6.62 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.465 0.706 . . . . 0.0 112.34 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -138.14 -7.68 1.57 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 178.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.3 ttt-85 -77.28 -28.97 53.6 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 117.97 0.35 . . . . 0.0 111.449 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 tt -153.23 -26.15 0.15 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.711 0.404 . . . . 0.0 111.737 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -69.22 -16.23 63.56 Favored 'General case' 0 C--N 1.34 0.178 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -67.32 116.18 7.8 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.243 0 O-C-N 122.197 -0.315 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 78.9 t90 . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -51.22 -17.48 0.7 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 118.868 2.914 . . . . 0.0 118.868 -174.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -66.07 -13.84 60.7 Favored 'General case' 0 N--CA 1.462 0.173 0 O-C-N 121.754 -0.591 . . . . 0.0 111.058 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -13.54 58.64 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.245 0.618 . . . . 0.0 111.488 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.0 tt -65.12 -25.05 67.6 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 118.019 0.372 . . . . 0.0 110.98 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 m -68.99 -11.86 61.16 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 122.75 0.42 . . . . 0.0 111.918 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -85.48 -20.52 29.59 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.68 0.392 . . . . 0.0 111.177 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.7 mt -75.0 -21.49 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 122.589 0.355 . . . . 0.0 111.415 -173.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -62.49 -24.76 67.64 Favored 'General case' 0 CA--C 1.529 0.163 0 O-C-N 121.751 -0.593 . . . . 0.0 112.143 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.3 p -77.22 -2.34 34.12 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.778 -0.576 . . . . 0.0 111.424 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -122.45 -23.05 5.3 Favored 'General case' 0 C--N 1.338 0.093 0 C-N-CA 123.582 0.753 . . . . 0.0 110.571 175.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -85.74 -19.38 30.89 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.503 0.721 . . . . 0.0 110.895 176.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -137.06 -24.43 1.11 Allowed 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 122.678 0.391 . . . . 0.0 111.66 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 t0 53.8 37.29 26.05 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.981 0.896 . . . . 0.0 113.24 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.006 0 O-C-N 121.467 -0.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 80.3 t90 . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -52.1 -17.5 1.09 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 118.861 2.911 . . . . 0.0 118.861 -174.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -61.73 -17.7 56.84 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 121.846 -0.534 . . . . 0.0 111.609 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -67.2 -13.24 61.77 Favored 'General case' 0 N--CA 1.458 -0.048 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 176.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.433 HD13 ' C ' ' A' ' 5' ' ' LEU . 3.0 tm? -64.7 -42.67 95.12 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 t -77.01 -8.63 57.76 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.465 0.306 . . . . 0.0 111.363 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -81.21 -23.46 38.1 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 122.587 0.355 . . . . 0.0 110.794 -179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.3 mt -75.45 -27.41 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 122.935 0.494 . . . . 0.0 111.104 -178.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -66.95 150.52 49.11 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 122.07 -0.394 . . . . 0.0 110.221 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.9 m 51.24 26.57 3.03 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 124.131 0.972 . . . . 0.0 112.963 -176.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.0 ttt85 -141.92 -34.7 0.46 Allowed 'General case' 0 C--N 1.34 0.153 0 C-N-CA 123.169 0.588 . . . . 0.0 110.116 176.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 tt -82.23 -18.71 41.61 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.823 0.449 . . . . 0.0 110.92 173.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -127.93 0.26 5.96 Favored 'General case' 0 C--N 1.34 0.186 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -177.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -68.22 118.77 11.78 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 176.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.151 0 CA-C-N 116.885 -0.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_