data_1in3_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 1in3 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.0 mt . . . . . 0 CA--C 1.534 0.352 0 CA-C-O 119.24 -0.41 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -60.88 -61.9 2.24 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.976 0.91 . . . . 0.0 110.912 -173.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -62.29 -38.59 89.96 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.6 1.16 . . . . 0.0 110.843 176.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.57 -47.76 83.19 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.513 1.525 . . . . 0.0 109.801 -174.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.59 -37.98 71.38 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.62 1.168 . . . . 0.0 112.728 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.35 -41.23 96.72 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 118.069 0.395 . . . . 0.0 110.767 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -81.98 -51.49 8.0 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.082 0.953 . . . . 0.0 111.019 -175.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -80.69 -63.54 1.39 Allowed 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.422 0.689 . . . . 0.0 110.741 -169.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -76.55 -49.09 17.28 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.065 0.546 . . . . 0.0 110.843 -169.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 . . . . . 0 CA--C 1.531 0.248 0 C-N-CA 124.253 1.021 . . . . 0.0 109.715 178.73 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.9 tp . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 118.911 -0.566 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -39.86 -58.35 1.39 Allowed 'General case' 0 C--N 1.343 0.291 0 C-N-CA 125.958 1.703 . . . . 0.0 113.848 -172.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 45.9 p-90 -52.18 -44.99 64.94 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 122.847 0.459 . . . . 0.0 111.322 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.94 -49.84 66.49 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.54 1.536 . . . . 0.0 108.758 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.09 -56.48 17.62 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.222 1.009 . . . . 0.0 111.193 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -64.76 -46.93 80.08 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 122.427 0.291 . . . . 0.0 111.277 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.37 -53.19 60.56 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.334 0.653 . . . . 0.0 111.72 -175.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -88.45 -44.04 11.02 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 118.982 -0.532 . . . . 0.0 112.433 -170.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -106.39 -69.39 0.83 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.359 0.527 . . . . 0.0 111.819 -169.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 . . . . . 0 CA--C 1.532 0.254 0 C-N-CA 124.565 1.146 . . . . 0.0 109.581 -172.167 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 CA--C 1.53 0.195 0 CA-C-O 119.052 -0.499 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -56.86 -61.77 2.2 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.731 0.812 . . . . 0.0 111.006 -177.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 30.3 p-90 -60.33 -38.77 84.78 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.808 0.443 . . . . 0.0 111.008 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tt -68.62 -48.78 63.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.561 1.144 . . . . 0.0 109.808 -170.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.74 93.52 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.798 0.839 . . . . 0.0 111.036 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -58.07 -41.25 83.0 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.902 0.481 . . . . 0.0 111.179 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -68.12 -63.44 1.06 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.357 1.063 . . . . 0.0 110.859 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -95.83 -59.4 1.87 Allowed 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.585 0.754 . . . . 0.0 112.061 -169.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -83.61 63.46 7.41 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.467 0.707 . . . . 0.0 110.796 -169.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 . . . . . 0 N--CA 1.454 -0.245 0 C-N-CA 124.277 1.031 . . . . 0.0 109.524 -179.413 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 CA--C 1.535 0.382 0 CA-C-O 118.905 -0.569 . . . . 0.0 112.033 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -61.84 -61.62 2.37 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.253 0.933 . . . . 0.0 110.978 -176.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 51.6 p-90 -63.44 -36.65 84.44 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.488 0.715 . . . . 0.0 110.703 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.24 -50.3 70.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.676 1.19 . . . . 0.0 109.041 -175.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.08 -38.58 89.37 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.606 0.762 . . . . 0.0 112.014 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -59.1 -51.54 69.6 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.185 0.448 . . . . 0.0 110.936 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -73.02 -55.95 5.81 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -175.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -80.45 -63.58 1.38 Allowed 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.827 0.851 . . . . 0.0 111.559 -169.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -70.47 -43.5 69.67 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.608 0.363 . . . . 0.0 110.96 -169.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 . . . . . 0 CA--C 1.531 0.238 0 C-N-CA 125.15 1.38 . . . . 0.0 110.065 -179.703 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.7 tp . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -49.89 -47.21 52.17 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 125.47 1.508 . . . . 0.0 113.228 -169.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -55.26 -44.65 75.8 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.891 0.477 . . . . 0.0 110.956 177.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.12 -35.22 76.17 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.429 1.492 . . . . 0.0 110.039 -178.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.17 -49.76 66.27 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 121.874 -0.516 . . . . 0.0 110.797 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -59.66 -72.31 0.11 Allowed 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 125.236 1.414 . . . . 0.0 112.498 -171.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -79.71 31.3 0.24 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -169.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -143.9 -56.48 0.38 Allowed 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.889 1.276 . . . . 0.0 109.223 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -106.53 -61.85 1.47 Allowed 'General case' 0 C--N 1.341 0.234 0 C-N-CA 123.921 0.888 . . . . 0.0 110.225 -171.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 CA--C 1.534 0.358 0 C-N-CA 124.423 1.089 . . . . 0.0 108.89 -179.218 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 CA--C 1.53 0.205 0 CA-C-O 118.94 -0.552 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -50.97 -62.1 1.82 Allowed 'General case' 0 C--N 1.341 0.238 0 C-N-CA 124.304 1.042 . . . . 0.0 112.928 -170.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 -50.84 -41.73 57.98 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.386 0.674 . . . . 0.0 111.517 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tt -66.01 -54.79 21.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.935 1.294 . . . . 0.0 108.993 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.49 -44.05 84.63 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.197 0.999 . . . . 0.0 112.026 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.06 -51.57 69.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.956 0.902 . . . . 0.0 111.216 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -66.88 -58.82 4.25 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.83 0.452 . . . . 0.0 111.352 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -80.14 -67.68 0.74 Allowed 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.594 0.758 . . . . 0.0 111.89 -169.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.0 m-30 -69.59 -40.17 76.86 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.018 0.527 . . . . 0.0 111.817 -168.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 . . . . . 0 CA--C 1.535 0.372 0 C-N-CA 124.727 1.211 . . . . 0.0 109.811 174.289 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 CA--C 1.529 0.138 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -42.23 -57.15 2.64 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 126.223 1.809 . . . . 0.0 113.759 -169.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 41.1 p-90 -51.26 -44.13 61.69 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.444 0.566 . . . . 0.0 111.543 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 tt -69.4 -54.44 14.37 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.168 1.387 . . . . 0.0 108.526 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.75 98.02 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.287 1.435 . . . . 0.0 112.535 -170.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -54.99 -56.04 24.15 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 124.252 1.021 . . . . 0.0 110.536 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -64.65 -56.17 15.51 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.174 0.59 . . . . 0.0 111.705 -176.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -79.92 -61.32 2.03 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.649 0.78 . . . . 0.0 110.963 -170.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -69.84 -44.89 69.0 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -169.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 169.258 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.9 tp . . . . . 0 CA--C 1.535 0.377 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -39.75 -61.38 0.84 Allowed 'General case' 0 C--N 1.344 0.333 0 C-N-CA 126.915 2.086 . . . . 0.0 113.184 -172.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 42.7 p-90 -55.78 -42.11 75.05 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.319 1.048 . . . . 0.0 111.624 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tt -66.13 -55.44 16.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.091 1.357 . . . . 0.0 108.504 -175.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.09 -40.5 70.49 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.012 0.925 . . . . 0.0 111.651 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.35 -64.12 1.0 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.88 0.872 . . . . 0.0 111.095 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -68.91 -43.81 74.45 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -169.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -79.95 -59.62 2.66 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-N 118.033 0.379 . . . . 0.0 111.467 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -87.26 -58.51 2.56 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 122.82 0.448 . . . . 0.0 111.543 -169.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 . . . . . 0 CA--C 1.532 0.258 0 C-N-CA 123.821 0.849 . . . . 0.0 110.07 -173.087 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 119.175 -0.44 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -49.46 -48.31 47.7 Favored 'General case' 0 C--N 1.341 0.214 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -169.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 38.2 p-90 -54.78 -36.01 64.42 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.258 0.936 . . . . 0.0 111.58 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tt -77.8 -53.32 7.64 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.403 1.481 . . . . 0.0 108.585 -178.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.81 -45.08 90.75 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.497 1.119 . . . . 0.0 112.422 -176.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.18 -22.16 64.84 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.096 0.558 . . . . 0.0 112.385 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -88.88 -54.0 4.34 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.695 0.798 . . . . 0.0 109.916 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -94.07 -65.27 1.0 Allowed 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.572 1.149 . . . . 0.0 111.253 -173.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -81.19 67.22 7.03 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.004 0.922 . . . . 0.0 111.984 -169.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 . . . . . 0 CA--C 1.53 0.177 0 C-N-CA 125.243 1.417 . . . . 0.0 108.863 172.375 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.6 mt . . . . . 0 CA--C 1.535 0.399 0 CA-C-O 119.349 -0.358 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -62.31 -54.06 46.1 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.65 0.659 . . . . 0.0 110.224 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -54.54 -41.14 69.37 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.016 0.927 . . . . 0.0 110.823 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.95 -49.83 68.79 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.447 1.499 . . . . 0.0 108.945 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.87 -47.09 84.82 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.186 0.994 . . . . 0.0 111.714 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -55.16 -36.66 66.07 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.541 0.737 . . . . 0.0 112.031 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -76.62 -64.08 1.2 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.028 0.531 . . . . 0.0 110.529 177.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -80.15 -67.19 0.79 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.981 0.913 . . . . 0.0 110.944 -172.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -83.33 59.66 5.16 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.526 1.13 . . . . 0.0 110.783 -170.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 . . . . . 0 C--N 1.34 0.176 0 C-N-CA 123.727 0.811 . . . . 0.0 110.078 -176.936 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.1 tp . . . . . 0 CA--C 1.533 0.32 0 CA-C-O 119.658 -0.21 . . . . 0.0 111.324 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -44.41 -53.18 7.11 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.497 1.919 . . . . 0.0 113.906 -169.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 42.1 p-90 -53.42 -46.38 69.74 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.235 0.614 . . . . 0.0 111.075 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.53 -54.27 38.74 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.434 1.494 . . . . 0.0 108.46 -178.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.96 -52.51 32.98 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.586 1.154 . . . . 0.0 111.636 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -60.86 -61.79 2.33 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.219 1.008 . . . . 0.0 111.681 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -61.92 -40.57 95.94 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.29 0.636 . . . . 0.0 111.85 -169.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -84.65 -49.51 8.47 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 122.821 0.449 . . . . 0.0 111.099 -174.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -109.49 -65.0 1.19 Allowed 'General case' 0 C--N 1.342 0.262 0 C-N-CA 123.113 0.565 . . . . 0.0 111.924 -169.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 . . . . . 0 CA--C 1.532 0.256 0 C-N-CA 124.535 1.134 . . . . 0.0 109.355 -172.656 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 119.335 -0.364 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -50.78 -57.39 8.48 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.846 1.259 . . . . 0.0 113.152 -169.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 44.1 p-90 -55.59 -38.67 69.71 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.445 0.698 . . . . 0.0 111.711 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 tt -69.57 -54.18 15.34 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.722 1.209 . . . . 0.0 108.5 -175.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.75 -45.64 78.02 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.667 1.187 . . . . 0.0 111.587 177.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -46.43 -48.38 18.83 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.902 1.281 . . . . 0.0 111.339 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -84.64 -52.04 6.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.64 0.776 . . . . 0.0 111.995 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -79.76 -41.87 25.69 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -168.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -146.77 78.05 1.48 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.697 0.68 . . . . 0.0 111.084 -174.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 170.377 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.9 tp . . . . . 0 CA--C 1.534 0.336 0 CA-C-O 119.817 -0.135 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -47.79 -53.33 15.74 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 125.447 1.499 . . . . 0.0 113.762 -169.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 47.2 p-90 -55.55 -41.86 73.83 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.447 0.699 . . . . 0.0 111.255 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 tt -66.43 -53.79 31.62 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.497 1.519 . . . . 0.0 108.912 -175.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.33 -47.44 86.01 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.326 1.051 . . . . 0.0 111.766 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -53.73 -45.35 70.48 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.182 0.993 . . . . 0.0 110.958 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -72.41 -62.42 1.45 Allowed 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.683 0.393 . . . . 0.0 111.453 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -80.98 -59.92 2.49 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -168.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.4 m-30 -69.8 -46.34 65.92 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 122.628 0.371 . . . . 0.0 110.776 -169.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 . . . . . 0 N--CA 1.454 -0.256 0 C-N-CA 124.032 0.933 . . . . 0.0 109.328 179.936 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -62.25 -51.25 68.49 Favored 'General case' 0 C--N 1.342 0.256 0 C-N-CA 124.223 1.009 . . . . 0.0 111.892 -169.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 46.2 p-90 -60.65 -42.86 97.84 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.463 0.705 . . . . 0.0 110.032 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.22 -42.91 99.73 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.115 1.366 . . . . 0.0 109.33 -175.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.91 -58.06 7.91 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.203 1.001 . . . . 0.0 111.656 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -60.53 -33.33 72.49 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.373 0.533 . . . . 0.0 112.123 -176.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -71.08 -65.66 0.71 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.224 0.61 . . . . 0.0 110.798 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -87.94 -52.02 5.51 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.119 0.568 . . . . 0.0 112.117 -169.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -69.48 -37.93 77.47 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -171.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.363 0 C-N-CA 123.782 0.833 . . . . 0.0 109.193 169.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 110.67 -0.122 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -68.49 -58.07 4.86 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.682 0.793 . . . . 0.0 109.015 -177.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -57.56 -37.21 72.74 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.514 1.125 . . . . 0.0 110.858 174.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.77 -51.06 62.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.936 0.895 . . . . 0.0 108.832 -174.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.46 -46.73 85.99 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.44 0.696 . . . . 0.0 111.586 175.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -55.47 -53.56 54.75 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.701 0.8 . . . . 0.0 111.032 177.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.57 -57.97 8.45 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.264 1.426 . . . . 0.0 111.162 -175.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -80.72 -66.87 0.83 Allowed 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.192 0.597 . . . . 0.0 111.598 -169.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -77.51 -52.02 9.75 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.866 0.466 . . . . 0.0 111.951 -168.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 . . . . . 0 CA--C 1.531 0.223 0 C-N-CA 124.32 1.048 . . . . 0.0 110.319 -174.914 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 119.659 -0.21 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -56.42 -35.22 67.56 Favored 'General case' 0 C--N 1.34 0.193 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -169.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 39.0 p-90 -61.35 -43.01 99.59 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.035 1.289 . . . . 0.0 110.121 176.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.45 -50.56 51.65 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 125.204 1.402 . . . . 0.0 108.415 -177.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.6 -49.79 75.25 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.391 0.677 . . . . 0.0 111.458 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -58.25 -49.44 77.11 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.762 0.825 . . . . 0.0 110.727 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -64.28 -57.25 9.97 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.612 0.765 . . . . 0.0 111.687 -177.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -87.12 -61.43 1.73 Allowed 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.753 0.821 . . . . 0.0 111.798 -170.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -72.54 -47.27 49.7 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.21 0.604 . . . . 0.0 112.272 -168.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 . . . . . 0 CA--C 1.533 0.302 0 C-N-CA 123.262 0.625 . . . . 0.0 109.663 177.412 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.8 mt . . . . . 0 CA--C 1.534 0.358 0 CA-C-O 119.046 -0.502 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.7 mm100 -66.15 -61.37 2.06 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 119.241 0.928 . . . . 0.0 111.05 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 48.6 p-90 -57.88 -39.08 76.98 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 122.872 0.469 . . . . 0.0 110.279 177.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.91 -50.19 67.49 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.67 1.588 . . . . 0.0 109.683 -174.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.33 -45.37 80.5 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.702 0.801 . . . . 0.0 111.013 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -55.22 -44.72 75.67 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.214 0.606 . . . . 0.0 110.408 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.9 -58.97 3.68 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.801 0.84 . . . . 0.0 111.545 -176.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -90.09 -59.04 2.3 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 122.795 0.438 . . . . 0.0 111.831 -169.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -69.61 -37.86 77.03 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 122.819 0.448 . . . . 0.0 110.428 -169.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 . . . . . 0 CA--C 1.534 0.359 0 C-N-CA 124.373 1.069 . . . . 0.0 109.856 169.331 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 CA--C 1.533 0.292 0 CA-C-O 118.746 -0.645 . . . . 0.0 112.336 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -65.36 -63.07 1.19 Allowed 'General case' 0 C--N 1.341 0.207 0 CA-C-N 119.348 0.976 . . . . 0.0 111.194 -173.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -55.21 -40.13 70.46 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.723 0.809 . . . . 0.0 111.106 176.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 tt -62.44 -48.97 77.33 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 126.372 1.869 . . . . 0.0 109.639 -175.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.27 -42.62 88.21 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.114 0.966 . . . . 0.0 111.154 173.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -57.18 -52.95 63.26 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.761 0.824 . . . . 0.0 111.203 -172.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -67.31 -38.43 84.96 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -101.82 -81.47 0.49 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.089 0.556 . . . . 0.0 111.681 -174.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -93.51 65.73 3.78 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.03 0.932 . . . . 0.0 110.486 -169.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 . . . . . 0 N--CA 1.455 -0.224 0 C-N-CA 125.056 1.342 . . . . 0.0 108.29 171.054 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.535 0.401 0 N-CA-C 110.587 -0.153 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -43.78 -60.62 1.73 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.813 1.645 . . . . 0.0 114.081 -169.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 45.3 p-90 -57.03 -39.76 75.44 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.197 0.999 . . . . 0.0 111.478 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.35 -53.87 41.9 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.906 1.282 . . . . 0.0 108.274 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.15 -41.66 79.59 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.195 0.598 . . . . 0.0 112.011 175.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -57.88 -53.19 61.03 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.357 0.663 . . . . 0.0 111.658 -178.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -80.8 -46.61 15.1 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -176.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -79.69 -65.21 1.03 Allowed 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.462 0.574 . . . . 0.0 111.719 -173.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -71.29 -48.82 48.37 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 122.932 0.493 . . . . 0.0 111.669 -168.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 175.064 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 119.364 -0.35 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -53.91 -39.82 66.14 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 124.149 0.98 . . . . 0.0 110.57 174.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 39.8 p-90 -56.56 -41.68 77.29 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 122.766 0.426 . . . . 0.0 110.908 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 tt -73.61 -54.82 7.28 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.142 1.377 . . . . 0.0 108.568 -176.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.46 -52.51 65.09 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.531 1.132 . . . . 0.0 111.24 -175.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -88.28 22.37 2.5 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -174.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -100.28 -53.81 3.03 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 168.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -95.85 -53.34 3.73 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.152 0.981 . . . . 0.0 110.805 -176.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.2 31.45 0.89 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.855 0.862 . . . . 0.0 111.349 -171.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 . . . . . 0 CA--C 1.532 0.283 0 C-N-CA 123.223 0.609 . . . . 0.0 110.257 -173.14 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.016 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -152.79 73.87 7.15 Favored Pre-proline 0 CA--C 1.536 0.414 0 C-N-CA 123.953 0.901 . . . . 0.0 110.091 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -78.5 69.77 7.56 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 123.518 2.812 . . . . 0.0 110.183 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.0 mt -90.1 -2.17 58.05 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.159 0.984 . . . . 0.0 112.028 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -60.88 -61.9 2.24 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.976 0.91 . . . . 0.0 110.912 -173.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -62.29 -38.59 89.96 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.6 1.16 . . . . 0.0 110.843 176.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.57 -47.76 83.19 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.513 1.525 . . . . 0.0 109.801 -174.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.59 -37.98 71.38 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.62 1.168 . . . . 0.0 112.728 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.35 -41.23 96.72 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 118.069 0.395 . . . . 0.0 110.767 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -81.98 -51.49 8.0 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.082 0.953 . . . . 0.0 111.019 -175.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -80.69 -63.54 1.39 Allowed 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.422 0.689 . . . . 0.0 110.741 -169.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -76.55 -49.09 17.28 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.065 0.546 . . . . 0.0 110.843 -169.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -87.86 166.93 14.21 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.253 1.021 . . . . 0.0 109.715 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.046 0 O-C-N 122.147 -0.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.032 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.3 ptp85 39.69 70.12 1.53 Allowed Pre-proline 0 CA--C 1.539 0.521 0 C-N-CA 126.182 1.793 . . . . 0.0 113.407 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -72.62 77.85 2.13 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.636 2.891 . . . . 0.0 109.147 173.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.9 tp -90.13 -29.67 18.15 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.814 1.246 . . . . 0.0 111.359 -172.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -39.86 -58.35 1.39 Allowed 'General case' 0 C--N 1.343 0.291 0 C-N-CA 125.958 1.703 . . . . 0.0 113.848 -172.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 45.9 p-90 -52.18 -44.99 64.94 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 122.847 0.459 . . . . 0.0 111.322 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.94 -49.84 66.49 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.54 1.536 . . . . 0.0 108.758 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.09 -56.48 17.62 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.222 1.009 . . . . 0.0 111.193 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -64.76 -46.93 80.08 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 122.427 0.291 . . . . 0.0 111.277 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.37 -53.19 60.56 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.334 0.653 . . . . 0.0 111.72 -175.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -88.45 -44.04 11.02 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 118.982 -0.532 . . . . 0.0 112.433 -170.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -106.39 -69.39 0.83 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.359 0.527 . . . . 0.0 111.819 -169.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -87.26 63.97 8.06 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.565 1.146 . . . . 0.0 109.581 -172.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.048 0 O-C-N 122.107 -0.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.016 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -133.18 75.49 71.01 Favored Pre-proline 0 CA--C 1.533 0.299 0 C-N-CA 124.241 1.016 . . . . 0.0 109.829 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -83.05 51.38 3.64 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 123.758 2.972 . . . . 0.0 110.489 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.0 -20.38 23.33 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.532 1.133 . . . . 0.0 111.01 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -56.86 -61.77 2.2 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.731 0.812 . . . . 0.0 111.006 -177.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 30.3 p-90 -60.33 -38.77 84.78 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.808 0.443 . . . . 0.0 111.008 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tt -68.62 -48.78 63.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.561 1.144 . . . . 0.0 109.808 -170.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.74 93.52 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.798 0.839 . . . . 0.0 111.036 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -58.07 -41.25 83.0 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.902 0.481 . . . . 0.0 111.179 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -68.12 -63.44 1.06 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.357 1.063 . . . . 0.0 110.859 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -95.83 -59.4 1.87 Allowed 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.585 0.754 . . . . 0.0 112.061 -169.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -83.61 63.46 7.41 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.467 0.707 . . . . 0.0 110.796 -169.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -140.68 -54.29 0.5 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.277 1.031 . . . . 0.0 109.524 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.017 0 O-C-N 122.253 -0.279 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.042 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -67.76 138.91 93.32 Favored Pre-proline 0 CA--C 1.537 0.473 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -68.49 103.05 0.9 Allowed 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.851 2.368 . . . . 0.0 110.335 176.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.2 mp -90.1 -1.69 57.99 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.456 1.102 . . . . 0.0 112.033 175.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -61.84 -61.62 2.37 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.253 0.933 . . . . 0.0 110.978 -176.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 51.6 p-90 -63.44 -36.65 84.44 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.488 0.715 . . . . 0.0 110.703 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.24 -50.3 70.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.676 1.19 . . . . 0.0 109.041 -175.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.08 -38.58 89.37 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.606 0.762 . . . . 0.0 112.014 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -59.1 -51.54 69.6 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.185 0.448 . . . . 0.0 110.936 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -73.02 -55.95 5.81 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -175.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -80.45 -63.58 1.38 Allowed 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.827 0.851 . . . . 0.0 111.559 -169.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -70.47 -43.5 69.67 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.608 0.363 . . . . 0.0 110.96 -169.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -99.05 172.56 7.32 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.15 1.38 . . . . 0.0 110.065 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.046 0 O-C-N 122.083 -0.386 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.051 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 -147.96 85.22 6.57 Favored Pre-proline 0 CA--C 1.532 0.285 0 C-N-CA 124.104 0.962 . . . . 0.0 108.768 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -82.34 53.27 4.44 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.508 2.806 . . . . 0.0 109.889 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.7 tp -91.19 -28.58 17.75 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.173 1.389 . . . . 0.0 110.43 170.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -49.89 -47.21 52.17 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 125.47 1.508 . . . . 0.0 113.228 -169.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -55.26 -44.65 75.8 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.891 0.477 . . . . 0.0 110.956 177.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.12 -35.22 76.17 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.429 1.492 . . . . 0.0 110.039 -178.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.17 -49.76 66.27 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 121.874 -0.516 . . . . 0.0 110.797 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -59.66 -72.31 0.11 Allowed 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 125.236 1.414 . . . . 0.0 112.498 -171.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -79.71 31.3 0.24 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -169.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -143.9 -56.48 0.38 Allowed 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.889 1.276 . . . . 0.0 109.223 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -106.53 -61.85 1.47 Allowed 'General case' 0 C--N 1.341 0.234 0 C-N-CA 123.921 0.888 . . . . 0.0 110.225 -171.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -83.71 68.0 9.71 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.423 1.089 . . . . 0.0 108.89 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.09 0 O-C-N 122.194 -0.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.007 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 52.71 70.33 1.91 Allowed Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 125.227 1.411 . . . . 0.0 111.599 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -80.08 66.13 8.83 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 123.783 2.988 . . . . 0.0 110.291 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.64 -29.8 17.53 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.602 1.161 . . . . 0.0 111.158 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -50.97 -62.1 1.82 Allowed 'General case' 0 C--N 1.341 0.238 0 C-N-CA 124.304 1.042 . . . . 0.0 112.928 -170.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 -50.84 -41.73 57.98 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.386 0.674 . . . . 0.0 111.517 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tt -66.01 -54.79 21.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.935 1.294 . . . . 0.0 108.993 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.49 -44.05 84.63 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.197 0.999 . . . . 0.0 112.026 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.06 -51.57 69.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.956 0.902 . . . . 0.0 111.216 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -66.88 -58.82 4.25 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.83 0.452 . . . . 0.0 111.352 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -80.14 -67.68 0.74 Allowed 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.594 0.758 . . . . 0.0 111.89 -169.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.0 m-30 -69.59 -40.17 76.86 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.018 0.527 . . . . 0.0 111.817 -168.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -100.81 32.49 3.13 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.727 1.211 . . . . 0.0 109.811 174.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.035 0 O-C-N 121.682 -0.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.044 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . 0.266 0.2 OUTLIER 14.09 74.2 0.12 Allowed Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 128.862 2.865 . . . . 0.0 114.795 . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -82.87 68.19 7.6 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 123.347 2.698 . . . . 0.0 110.617 -172.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -90.6 -48.94 6.77 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.372 1.069 . . . . 0.0 109.932 173.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -42.23 -57.15 2.64 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 126.223 1.809 . . . . 0.0 113.759 -169.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 41.1 p-90 -51.26 -44.13 61.69 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.444 0.566 . . . . 0.0 111.543 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 tt -69.4 -54.44 14.37 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.168 1.387 . . . . 0.0 108.526 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.75 98.02 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.287 1.435 . . . . 0.0 112.535 -170.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -54.99 -56.04 24.15 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 124.252 1.021 . . . . 0.0 110.536 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -64.65 -56.17 15.51 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.174 0.59 . . . . 0.0 111.705 -176.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -79.92 -61.32 2.03 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.649 0.78 . . . . 0.0 110.963 -170.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -69.84 -44.89 69.0 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -169.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -98.68 41.27 1.15 Allowed 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 169.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.007 0 O-C-N 121.508 -0.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.039 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 53.49 64.79 6.38 Favored Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 125.338 1.455 . . . . 0.0 111.678 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -77.91 73.82 5.53 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 123.733 2.955 . . . . 0.0 110.536 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.9 tp -90.42 -25.51 20.34 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.01 1.324 . . . . 0.0 111.325 177.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -39.75 -61.38 0.84 Allowed 'General case' 0 C--N 1.344 0.333 0 C-N-CA 126.915 2.086 . . . . 0.0 113.184 -172.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 42.7 p-90 -55.78 -42.11 75.05 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.319 1.048 . . . . 0.0 111.624 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tt -66.13 -55.44 16.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.091 1.357 . . . . 0.0 108.504 -175.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.09 -40.5 70.49 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.012 0.925 . . . . 0.0 111.651 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.35 -64.12 1.0 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.88 0.872 . . . . 0.0 111.095 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -68.91 -43.81 74.45 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -169.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -79.95 -59.62 2.66 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-N 118.033 0.379 . . . . 0.0 111.467 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -87.26 -58.51 2.56 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 122.82 0.448 . . . . 0.0 111.543 -169.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -90.64 56.19 3.21 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.821 0.849 . . . . 0.0 110.07 -173.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.078 0 O-C-N 122.221 -0.3 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.005 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 54.61 69.16 2.21 Favored Pre-proline 0 CA--C 1.539 0.526 0 C-N-CA 124.794 1.238 . . . . 0.0 111.33 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -82.11 57.61 6.3 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.373 2.715 . . . . 0.0 109.512 176.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.78 -48.74 6.85 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.655 1.182 . . . . 0.0 110.942 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -49.46 -48.31 47.7 Favored 'General case' 0 C--N 1.341 0.214 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -169.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 38.2 p-90 -54.78 -36.01 64.42 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.258 0.936 . . . . 0.0 111.58 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tt -77.8 -53.32 7.64 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.403 1.481 . . . . 0.0 108.585 -178.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.81 -45.08 90.75 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.497 1.119 . . . . 0.0 112.422 -176.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.18 -22.16 64.84 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.096 0.558 . . . . 0.0 112.385 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -88.88 -54.0 4.34 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.695 0.798 . . . . 0.0 109.916 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -94.07 -65.27 1.0 Allowed 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.572 1.149 . . . . 0.0 111.253 -173.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -81.19 67.22 7.03 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.004 0.922 . . . . 0.0 111.984 -169.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -121.7 154.06 37.36 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.243 1.417 . . . . 0.0 108.863 172.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.066 0 O-C-N 122.243 -0.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.025 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -133.7 76.99 65.04 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 124.24 1.016 . . . . 0.0 109.179 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -76.65 77.66 3.59 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 123.791 2.994 . . . . 0.0 109.823 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.6 mt -90.4 17.49 7.23 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.124 0.97 . . . . 0.0 111.354 173.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -62.31 -54.06 46.1 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.65 0.659 . . . . 0.0 110.224 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -54.54 -41.14 69.37 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.016 0.927 . . . . 0.0 110.823 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.95 -49.83 68.79 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.447 1.499 . . . . 0.0 108.945 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.87 -47.09 84.82 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.186 0.994 . . . . 0.0 111.714 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -55.16 -36.66 66.07 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.541 0.737 . . . . 0.0 112.031 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -76.62 -64.08 1.2 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.028 0.531 . . . . 0.0 110.529 177.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -80.15 -67.19 0.79 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.981 0.913 . . . . 0.0 110.944 -172.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -83.33 59.66 5.16 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.526 1.13 . . . . 0.0 110.783 -170.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -155.36 -50.97 0.09 Allowed 'General case' 0 C--N 1.34 0.176 0 C-N-CA 123.727 0.811 . . . . 0.0 110.078 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.014 0 O-C-N 122.311 -0.243 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -71.92 121.54 84.84 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -80.91 63.94 8.84 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.587 2.858 . . . . 0.0 110.308 -176.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.1 tp -91.09 -33.45 15.47 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.21 1.404 . . . . 0.0 111.324 174.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -44.41 -53.18 7.11 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.497 1.919 . . . . 0.0 113.906 -169.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 42.1 p-90 -53.42 -46.38 69.74 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.235 0.614 . . . . 0.0 111.075 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.53 -54.27 38.74 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.434 1.494 . . . . 0.0 108.46 -178.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.96 -52.51 32.98 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.586 1.154 . . . . 0.0 111.636 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -60.86 -61.79 2.33 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.219 1.008 . . . . 0.0 111.681 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -61.92 -40.57 95.94 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.29 0.636 . . . . 0.0 111.85 -169.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -84.65 -49.51 8.47 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 122.821 0.449 . . . . 0.0 111.099 -174.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -109.49 -65.0 1.19 Allowed 'General case' 0 C--N 1.342 0.262 0 C-N-CA 123.113 0.565 . . . . 0.0 111.924 -169.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -84.3 67.19 9.72 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.535 1.134 . . . . 0.0 109.355 -172.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.067 0 CA-C-N 116.312 -0.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.025 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.23 66.93 3.81 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 125.538 1.535 . . . . 0.0 110.788 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -80.59 61.99 8.4 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 123.69 2.927 . . . . 0.0 110.131 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.71 -34.62 15.31 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.594 1.158 . . . . 0.0 110.856 176.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -50.78 -57.39 8.48 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.846 1.259 . . . . 0.0 113.152 -169.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 44.1 p-90 -55.59 -38.67 69.71 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.445 0.698 . . . . 0.0 111.711 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 tt -69.57 -54.18 15.34 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.722 1.209 . . . . 0.0 108.5 -175.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.75 -45.64 78.02 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.667 1.187 . . . . 0.0 111.587 177.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -46.43 -48.38 18.83 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.902 1.281 . . . . 0.0 111.339 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -84.64 -52.04 6.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.64 0.776 . . . . 0.0 111.995 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -79.76 -41.87 25.69 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -168.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -146.77 78.05 1.48 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.697 0.68 . . . . 0.0 111.084 -174.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -149.7 89.64 1.64 Allowed 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 170.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.062 0 O-C-N 122.139 -0.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.058 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -131.38 77.49 73.77 Favored Pre-proline 0 CA--C 1.532 0.274 0 C-N-CA 124.377 1.071 . . . . 0.0 109.066 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -79.16 67.41 8.6 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.479 2.786 . . . . 0.0 110.12 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.9 tp -90.77 -27.91 18.59 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.982 1.313 . . . . 0.0 111.342 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -47.79 -53.33 15.74 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 125.447 1.499 . . . . 0.0 113.762 -169.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 47.2 p-90 -55.55 -41.86 73.83 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.447 0.699 . . . . 0.0 111.255 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 tt -66.43 -53.79 31.62 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.497 1.519 . . . . 0.0 108.912 -175.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.33 -47.44 86.01 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.326 1.051 . . . . 0.0 111.766 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -53.73 -45.35 70.48 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.182 0.993 . . . . 0.0 110.958 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -72.41 -62.42 1.45 Allowed 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.683 0.393 . . . . 0.0 111.453 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -80.98 -59.92 2.49 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -168.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.4 m-30 -69.8 -46.34 65.92 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 122.628 0.371 . . . . 0.0 110.776 -169.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -83.69 -60.33 2.15 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.032 0.933 . . . . 0.0 109.328 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.005 0 O-C-N 122.244 -0.285 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.018 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -131.97 82.56 59.18 Favored Pre-proline 0 CA--C 1.534 0.343 0 C-N-CA 124.842 1.257 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -81.3 49.41 3.2 Favored 'Trans proline' 0 CA--C 1.537 0.637 0 C-N-CA 123.455 2.77 . . . . 0.0 111.079 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.9 -21.26 21.48 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.503 1.521 . . . . 0.0 109.423 169.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -62.25 -51.25 68.49 Favored 'General case' 0 C--N 1.342 0.256 0 C-N-CA 124.223 1.009 . . . . 0.0 111.892 -169.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 46.2 p-90 -60.65 -42.86 97.84 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.463 0.705 . . . . 0.0 110.032 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.22 -42.91 99.73 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.115 1.366 . . . . 0.0 109.33 -175.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.91 -58.06 7.91 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.203 1.001 . . . . 0.0 111.656 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -60.53 -33.33 72.49 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.373 0.533 . . . . 0.0 112.123 -176.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -71.08 -65.66 0.71 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.224 0.61 . . . . 0.0 110.798 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -87.94 -52.02 5.51 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.119 0.568 . . . . 0.0 112.117 -169.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -69.48 -37.93 77.47 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -171.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.85 40.3 1.6 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.782 0.833 . . . . 0.0 109.193 169.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.059 0 O-C-N 121.736 -0.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.038 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 51.48 62.75 10.59 Favored Pre-proline 0 CA--C 1.536 0.439 0 C-N-CA 125.256 1.422 . . . . 0.0 112.146 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -82.14 54.89 5.18 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 123.657 2.905 . . . . 0.0 110.672 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 mp -90.34 24.68 2.48 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.785 0.834 . . . . 0.0 110.67 177.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -68.49 -58.07 4.86 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.682 0.793 . . . . 0.0 109.015 -177.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -57.56 -37.21 72.74 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.514 1.125 . . . . 0.0 110.858 174.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.77 -51.06 62.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.936 0.895 . . . . 0.0 108.832 -174.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.46 -46.73 85.99 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.44 0.696 . . . . 0.0 111.586 175.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -55.47 -53.56 54.75 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.701 0.8 . . . . 0.0 111.032 177.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.57 -57.97 8.45 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.264 1.426 . . . . 0.0 111.162 -175.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -80.72 -66.87 0.83 Allowed 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.192 0.597 . . . . 0.0 111.598 -169.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -77.51 -52.02 9.75 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.866 0.466 . . . . 0.0 111.951 -168.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -96.91 47.83 1.05 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.32 1.048 . . . . 0.0 110.319 -174.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.02 0 O-C-N 122.056 -0.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.049 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -131.14 76.99 75.57 Favored Pre-proline 0 CA--C 1.534 0.352 0 C-N-CA 124.581 1.153 . . . . 0.0 109.402 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -81.26 59.19 7.27 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 123.859 3.039 . . . . 0.0 110.474 -178.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.87 -45.75 8.6 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 124.492 1.117 . . . . 0.0 110.667 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -56.42 -35.22 67.56 Favored 'General case' 0 C--N 1.34 0.193 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -169.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 39.0 p-90 -61.35 -43.01 99.59 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.035 1.289 . . . . 0.0 110.121 176.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.45 -50.56 51.65 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 125.204 1.402 . . . . 0.0 108.415 -177.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.6 -49.79 75.25 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.391 0.677 . . . . 0.0 111.458 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -58.25 -49.44 77.11 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.762 0.825 . . . . 0.0 110.727 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -64.28 -57.25 9.97 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.612 0.765 . . . . 0.0 111.687 -177.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -87.12 -61.43 1.73 Allowed 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.753 0.821 . . . . 0.0 111.798 -170.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -72.54 -47.27 49.7 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.21 0.604 . . . . 0.0 112.272 -168.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -81.82 63.24 5.99 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.262 0.625 . . . . 0.0 109.663 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.085 0 O-C-N 122.011 -0.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.02 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 54.81 66.76 3.76 Favored Pre-proline 0 CA--C 1.537 0.453 0 C-N-CA 125.032 1.333 . . . . 0.0 111.441 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -76.78 72.96 5.51 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 123.691 2.927 . . . . 0.0 109.132 174.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.8 mt -83.31 8.58 13.09 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.908 0.883 . . . . 0.0 112.104 -178.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.7 mm100 -66.15 -61.37 2.06 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 119.241 0.928 . . . . 0.0 111.05 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 48.6 p-90 -57.88 -39.08 76.98 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 122.872 0.469 . . . . 0.0 110.279 177.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.91 -50.19 67.49 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.67 1.588 . . . . 0.0 109.683 -174.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.33 -45.37 80.5 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.702 0.801 . . . . 0.0 111.013 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -55.22 -44.72 75.67 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.214 0.606 . . . . 0.0 110.408 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.9 -58.97 3.68 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.801 0.84 . . . . 0.0 111.545 -176.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -90.09 -59.04 2.3 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 122.795 0.438 . . . . 0.0 111.831 -169.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -69.61 -37.86 77.03 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 122.819 0.448 . . . . 0.0 110.428 -169.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -106.34 32.98 4.08 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.373 1.069 . . . . 0.0 109.856 169.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.009 0 O-C-N 121.527 -0.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.025 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -119.99 80.32 26.2 Favored Pre-proline 0 CA--C 1.535 0.372 0 C-N-CA 124.962 1.305 . . . . 0.0 108.985 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -80.07 71.19 7.18 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 123.079 2.519 . . . . 0.0 109.692 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 81.6 mt -90.32 -1.32 57.91 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.874 0.869 . . . . 0.0 112.336 -178.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -65.36 -63.07 1.19 Allowed 'General case' 0 C--N 1.341 0.207 0 CA-C-N 119.348 0.976 . . . . 0.0 111.194 -173.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -55.21 -40.13 70.46 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.723 0.809 . . . . 0.0 111.106 176.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 tt -62.44 -48.97 77.33 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 126.372 1.869 . . . . 0.0 109.639 -175.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.27 -42.62 88.21 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.114 0.966 . . . . 0.0 111.154 173.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -57.18 -52.95 63.26 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.761 0.824 . . . . 0.0 111.203 -172.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -67.31 -38.43 84.96 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -101.82 -81.47 0.49 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.089 0.556 . . . . 0.0 111.681 -174.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -93.51 65.73 3.78 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.03 0.932 . . . . 0.0 110.486 -169.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -156.94 -59.73 0.09 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.056 1.342 . . . . 0.0 108.29 171.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.012 0 O-C-N 122.23 -0.294 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.01 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -61.99 -58.96 14.67 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-O 117.997 -1.001 . . . . 0.0 111.905 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -74.89 78.6 2.82 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.589 2.193 . . . . 0.0 110.051 177.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.58 -37.79 13.59 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.281 1.432 . . . . 0.0 110.587 -178.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -43.78 -60.62 1.73 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.813 1.645 . . . . 0.0 114.081 -169.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 45.3 p-90 -57.03 -39.76 75.44 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.197 0.999 . . . . 0.0 111.478 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.35 -53.87 41.9 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.906 1.282 . . . . 0.0 108.274 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.15 -41.66 79.59 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.195 0.598 . . . . 0.0 112.011 175.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -57.88 -53.19 61.03 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.357 0.663 . . . . 0.0 111.658 -178.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -80.8 -46.61 15.1 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -176.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -79.69 -65.21 1.03 Allowed 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.462 0.574 . . . . 0.0 111.719 -173.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -71.29 -48.82 48.37 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 122.932 0.493 . . . . 0.0 111.669 -168.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -79.55 -56.99 3.91 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 175.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.08 0 O-C-N 122.284 -0.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.016 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -132.34 80.89 62.16 Favored Pre-proline 0 CA--C 1.534 0.331 0 C-N-CA 124.51 1.124 . . . . 0.0 108.894 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -81.0 59.72 7.58 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.797 2.998 . . . . 0.0 110.39 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 pp -90.27 23.61 2.84 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.022 0.929 . . . . 0.0 111.545 172.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -53.91 -39.82 66.14 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 124.149 0.98 . . . . 0.0 110.57 174.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 39.8 p-90 -56.56 -41.68 77.29 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 122.766 0.426 . . . . 0.0 110.908 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 tt -73.61 -54.82 7.28 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.142 1.377 . . . . 0.0 108.568 -176.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.46 -52.51 65.09 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.531 1.132 . . . . 0.0 111.24 -175.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -88.28 22.37 2.5 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -174.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -100.28 -53.81 3.03 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 168.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -95.85 -53.34 3.73 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.152 0.981 . . . . 0.0 110.805 -176.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.2 31.45 0.89 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.855 0.862 . . . . 0.0 111.349 -171.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -82.54 70.03 9.42 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.223 0.609 . . . . 0.0 110.257 -173.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.053 0 O-C-N 122.013 -0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.0 mt . . . . . 0 CA--C 1.534 0.352 0 CA-C-O 119.24 -0.41 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -60.88 -61.9 2.24 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.976 0.91 . . . . 0.0 110.912 -173.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -62.29 -38.59 89.96 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.6 1.16 . . . . 0.0 110.843 176.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.57 -47.76 83.19 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.513 1.525 . . . . 0.0 109.801 -174.502 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.59 -37.98 71.38 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.62 1.168 . . . . 0.0 112.728 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.35 -41.23 96.72 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 118.069 0.395 . . . . 0.0 110.767 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -81.98 -51.49 8.0 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.082 0.953 . . . . 0.0 111.019 -175.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -80.69 -63.54 1.39 Allowed 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.422 0.689 . . . . 0.0 110.741 -169.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -76.55 -49.09 17.28 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.065 0.546 . . . . 0.0 110.843 -169.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 . . . . . 0 CA--C 1.531 0.248 0 C-N-CA 124.253 1.021 . . . . 0.0 109.715 178.73 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.9 tp . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 118.911 -0.566 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -39.86 -58.35 1.39 Allowed 'General case' 0 C--N 1.343 0.291 0 C-N-CA 125.958 1.703 . . . . 0.0 113.848 -172.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 45.9 p-90 -52.18 -44.99 64.94 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 122.847 0.459 . . . . 0.0 111.322 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.94 -49.84 66.49 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.54 1.536 . . . . 0.0 108.758 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.09 -56.48 17.62 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.222 1.009 . . . . 0.0 111.193 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -64.76 -46.93 80.08 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 122.427 0.291 . . . . 0.0 111.277 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.37 -53.19 60.56 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.334 0.653 . . . . 0.0 111.72 -175.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -88.45 -44.04 11.02 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 118.982 -0.532 . . . . 0.0 112.433 -170.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -106.39 -69.39 0.83 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.359 0.527 . . . . 0.0 111.819 -169.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 . . . . . 0 CA--C 1.532 0.254 0 C-N-CA 124.565 1.146 . . . . 0.0 109.581 -172.167 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 CA--C 1.53 0.195 0 CA-C-O 119.052 -0.499 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -56.86 -61.77 2.2 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.731 0.812 . . . . 0.0 111.006 -177.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 30.3 p-90 -60.33 -38.77 84.78 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.808 0.443 . . . . 0.0 111.008 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tt -68.62 -48.78 63.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.561 1.144 . . . . 0.0 109.808 -170.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.74 93.52 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.798 0.839 . . . . 0.0 111.036 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -58.07 -41.25 83.0 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.902 0.481 . . . . 0.0 111.179 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -68.12 -63.44 1.06 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.357 1.063 . . . . 0.0 110.859 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -95.83 -59.4 1.87 Allowed 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.585 0.754 . . . . 0.0 112.061 -169.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -83.61 63.46 7.41 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.467 0.707 . . . . 0.0 110.796 -169.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 . . . . . 0 N--CA 1.454 -0.245 0 C-N-CA 124.277 1.031 . . . . 0.0 109.524 -179.413 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 CA--C 1.535 0.382 0 CA-C-O 118.905 -0.569 . . . . 0.0 112.033 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -61.84 -61.62 2.37 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.253 0.933 . . . . 0.0 110.978 -176.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 51.6 p-90 -63.44 -36.65 84.44 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.488 0.715 . . . . 0.0 110.703 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.24 -50.3 70.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.676 1.19 . . . . 0.0 109.041 -175.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.08 -38.58 89.37 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.606 0.762 . . . . 0.0 112.014 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -59.1 -51.54 69.6 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.185 0.448 . . . . 0.0 110.936 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -73.02 -55.95 5.81 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -175.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -80.45 -63.58 1.38 Allowed 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.827 0.851 . . . . 0.0 111.559 -169.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -70.47 -43.5 69.67 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.608 0.363 . . . . 0.0 110.96 -169.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 . . . . . 0 CA--C 1.531 0.238 0 C-N-CA 125.15 1.38 . . . . 0.0 110.065 -179.703 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.7 tp . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -49.89 -47.21 52.17 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 125.47 1.508 . . . . 0.0 113.228 -169.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -55.26 -44.65 75.8 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.891 0.477 . . . . 0.0 110.956 177.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.12 -35.22 76.17 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.429 1.492 . . . . 0.0 110.039 -178.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.17 -49.76 66.27 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 121.874 -0.516 . . . . 0.0 110.797 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -59.66 -72.31 0.11 Allowed 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 125.236 1.414 . . . . 0.0 112.498 -171.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -79.71 31.3 0.24 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -169.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -143.9 -56.48 0.38 Allowed 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.889 1.276 . . . . 0.0 109.223 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -106.53 -61.85 1.47 Allowed 'General case' 0 C--N 1.341 0.234 0 C-N-CA 123.921 0.888 . . . . 0.0 110.225 -171.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 CA--C 1.534 0.358 0 C-N-CA 124.423 1.089 . . . . 0.0 108.89 -179.218 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 CA--C 1.53 0.205 0 CA-C-O 118.94 -0.552 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -50.97 -62.1 1.82 Allowed 'General case' 0 C--N 1.341 0.238 0 C-N-CA 124.304 1.042 . . . . 0.0 112.928 -170.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 -50.84 -41.73 57.98 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.386 0.674 . . . . 0.0 111.517 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tt -66.01 -54.79 21.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.935 1.294 . . . . 0.0 108.993 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.49 -44.05 84.63 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.197 0.999 . . . . 0.0 112.026 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.06 -51.57 69.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.956 0.902 . . . . 0.0 111.216 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -66.88 -58.82 4.25 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.83 0.452 . . . . 0.0 111.352 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -80.14 -67.68 0.74 Allowed 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.594 0.758 . . . . 0.0 111.89 -169.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.0 m-30 -69.59 -40.17 76.86 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.018 0.527 . . . . 0.0 111.817 -168.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 . . . . . 0 CA--C 1.535 0.372 0 C-N-CA 124.727 1.211 . . . . 0.0 109.811 174.289 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 CA--C 1.529 0.138 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -42.23 -57.15 2.64 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 126.223 1.809 . . . . 0.0 113.759 -169.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 41.1 p-90 -51.26 -44.13 61.69 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.444 0.566 . . . . 0.0 111.543 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 tt -69.4 -54.44 14.37 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.168 1.387 . . . . 0.0 108.526 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.75 98.02 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.287 1.435 . . . . 0.0 112.535 -170.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -54.99 -56.04 24.15 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 124.252 1.021 . . . . 0.0 110.536 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -64.65 -56.17 15.51 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.174 0.59 . . . . 0.0 111.705 -176.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -79.92 -61.32 2.03 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.649 0.78 . . . . 0.0 110.963 -170.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -69.84 -44.89 69.0 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -169.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 169.258 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.9 tp . . . . . 0 CA--C 1.535 0.377 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -39.75 -61.38 0.84 Allowed 'General case' 0 C--N 1.344 0.333 0 C-N-CA 126.915 2.086 . . . . 0.0 113.184 -172.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 42.7 p-90 -55.78 -42.11 75.05 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.319 1.048 . . . . 0.0 111.624 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tt -66.13 -55.44 16.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.091 1.357 . . . . 0.0 108.504 -175.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.09 -40.5 70.49 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.012 0.925 . . . . 0.0 111.651 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.35 -64.12 1.0 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.88 0.872 . . . . 0.0 111.095 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -68.91 -43.81 74.45 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -169.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -79.95 -59.62 2.66 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-N 118.033 0.379 . . . . 0.0 111.467 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -87.26 -58.51 2.56 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 122.82 0.448 . . . . 0.0 111.543 -169.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 . . . . . 0 CA--C 1.532 0.258 0 C-N-CA 123.821 0.849 . . . . 0.0 110.07 -173.087 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 119.175 -0.44 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -49.46 -48.31 47.7 Favored 'General case' 0 C--N 1.341 0.214 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -169.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 38.2 p-90 -54.78 -36.01 64.42 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.258 0.936 . . . . 0.0 111.58 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tt -77.8 -53.32 7.64 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.403 1.481 . . . . 0.0 108.585 -178.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.81 -45.08 90.75 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.497 1.119 . . . . 0.0 112.422 -176.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.18 -22.16 64.84 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.096 0.558 . . . . 0.0 112.385 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -88.88 -54.0 4.34 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.695 0.798 . . . . 0.0 109.916 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -94.07 -65.27 1.0 Allowed 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.572 1.149 . . . . 0.0 111.253 -173.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -81.19 67.22 7.03 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.004 0.922 . . . . 0.0 111.984 -169.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 . . . . . 0 CA--C 1.53 0.177 0 C-N-CA 125.243 1.417 . . . . 0.0 108.863 172.375 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.6 mt . . . . . 0 CA--C 1.535 0.399 0 CA-C-O 119.349 -0.358 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -62.31 -54.06 46.1 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.65 0.659 . . . . 0.0 110.224 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -54.54 -41.14 69.37 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.016 0.927 . . . . 0.0 110.823 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.95 -49.83 68.79 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.447 1.499 . . . . 0.0 108.945 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.87 -47.09 84.82 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.186 0.994 . . . . 0.0 111.714 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -55.16 -36.66 66.07 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.541 0.737 . . . . 0.0 112.031 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -76.62 -64.08 1.2 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.028 0.531 . . . . 0.0 110.529 177.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -80.15 -67.19 0.79 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.981 0.913 . . . . 0.0 110.944 -172.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -83.33 59.66 5.16 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.526 1.13 . . . . 0.0 110.783 -170.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 . . . . . 0 C--N 1.34 0.176 0 C-N-CA 123.727 0.811 . . . . 0.0 110.078 -176.936 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.1 tp . . . . . 0 CA--C 1.533 0.32 0 CA-C-O 119.658 -0.21 . . . . 0.0 111.324 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -44.41 -53.18 7.11 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.497 1.919 . . . . 0.0 113.906 -169.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 42.1 p-90 -53.42 -46.38 69.74 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.235 0.614 . . . . 0.0 111.075 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.53 -54.27 38.74 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.434 1.494 . . . . 0.0 108.46 -178.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.96 -52.51 32.98 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.586 1.154 . . . . 0.0 111.636 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -60.86 -61.79 2.33 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.219 1.008 . . . . 0.0 111.681 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -61.92 -40.57 95.94 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.29 0.636 . . . . 0.0 111.85 -169.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -84.65 -49.51 8.47 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 122.821 0.449 . . . . 0.0 111.099 -174.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -109.49 -65.0 1.19 Allowed 'General case' 0 C--N 1.342 0.262 0 C-N-CA 123.113 0.565 . . . . 0.0 111.924 -169.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 . . . . . 0 CA--C 1.532 0.256 0 C-N-CA 124.535 1.134 . . . . 0.0 109.355 -172.656 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 119.335 -0.364 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -50.78 -57.39 8.48 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.846 1.259 . . . . 0.0 113.152 -169.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 44.1 p-90 -55.59 -38.67 69.71 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.445 0.698 . . . . 0.0 111.711 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 tt -69.57 -54.18 15.34 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.722 1.209 . . . . 0.0 108.5 -175.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.75 -45.64 78.02 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.667 1.187 . . . . 0.0 111.587 177.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -46.43 -48.38 18.83 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.902 1.281 . . . . 0.0 111.339 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -84.64 -52.04 6.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.64 0.776 . . . . 0.0 111.995 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -79.76 -41.87 25.69 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -168.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -146.77 78.05 1.48 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.697 0.68 . . . . 0.0 111.084 -174.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 170.377 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.9 tp . . . . . 0 CA--C 1.534 0.336 0 CA-C-O 119.817 -0.135 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -47.79 -53.33 15.74 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 125.447 1.499 . . . . 0.0 113.762 -169.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 47.2 p-90 -55.55 -41.86 73.83 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.447 0.699 . . . . 0.0 111.255 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 tt -66.43 -53.79 31.62 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.497 1.519 . . . . 0.0 108.912 -175.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.33 -47.44 86.01 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.326 1.051 . . . . 0.0 111.766 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -53.73 -45.35 70.48 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.182 0.993 . . . . 0.0 110.958 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -72.41 -62.42 1.45 Allowed 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.683 0.393 . . . . 0.0 111.453 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -80.98 -59.92 2.49 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -168.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.4 m-30 -69.8 -46.34 65.92 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 122.628 0.371 . . . . 0.0 110.776 -169.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 . . . . . 0 N--CA 1.454 -0.256 0 C-N-CA 124.032 0.933 . . . . 0.0 109.328 179.936 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -62.25 -51.25 68.49 Favored 'General case' 0 C--N 1.342 0.256 0 C-N-CA 124.223 1.009 . . . . 0.0 111.892 -169.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 46.2 p-90 -60.65 -42.86 97.84 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.463 0.705 . . . . 0.0 110.032 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.22 -42.91 99.73 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.115 1.366 . . . . 0.0 109.33 -175.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.91 -58.06 7.91 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.203 1.001 . . . . 0.0 111.656 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -60.53 -33.33 72.49 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.373 0.533 . . . . 0.0 112.123 -176.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -71.08 -65.66 0.71 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.224 0.61 . . . . 0.0 110.798 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -87.94 -52.02 5.51 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.119 0.568 . . . . 0.0 112.117 -169.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -69.48 -37.93 77.47 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -171.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.363 0 C-N-CA 123.782 0.833 . . . . 0.0 109.193 169.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 110.67 -0.122 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -68.49 -58.07 4.86 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.682 0.793 . . . . 0.0 109.015 -177.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -57.56 -37.21 72.74 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.514 1.125 . . . . 0.0 110.858 174.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.77 -51.06 62.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.936 0.895 . . . . 0.0 108.832 -174.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.46 -46.73 85.99 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.44 0.696 . . . . 0.0 111.586 175.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -55.47 -53.56 54.75 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.701 0.8 . . . . 0.0 111.032 177.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.57 -57.97 8.45 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.264 1.426 . . . . 0.0 111.162 -175.129 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -80.72 -66.87 0.83 Allowed 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.192 0.597 . . . . 0.0 111.598 -169.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -77.51 -52.02 9.75 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.866 0.466 . . . . 0.0 111.951 -168.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 . . . . . 0 CA--C 1.531 0.223 0 C-N-CA 124.32 1.048 . . . . 0.0 110.319 -174.914 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 119.659 -0.21 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -56.42 -35.22 67.56 Favored 'General case' 0 C--N 1.34 0.193 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -169.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 39.0 p-90 -61.35 -43.01 99.59 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.035 1.289 . . . . 0.0 110.121 176.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.45 -50.56 51.65 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 125.204 1.402 . . . . 0.0 108.415 -177.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.6 -49.79 75.25 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.391 0.677 . . . . 0.0 111.458 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -58.25 -49.44 77.11 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.762 0.825 . . . . 0.0 110.727 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -64.28 -57.25 9.97 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.612 0.765 . . . . 0.0 111.687 -177.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -87.12 -61.43 1.73 Allowed 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.753 0.821 . . . . 0.0 111.798 -170.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -72.54 -47.27 49.7 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.21 0.604 . . . . 0.0 112.272 -168.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 . . . . . 0 CA--C 1.533 0.302 0 C-N-CA 123.262 0.625 . . . . 0.0 109.663 177.412 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.8 mt . . . . . 0 CA--C 1.534 0.358 0 CA-C-O 119.046 -0.502 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.7 mm100 -66.15 -61.37 2.06 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 119.241 0.928 . . . . 0.0 111.05 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 48.6 p-90 -57.88 -39.08 76.98 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 122.872 0.469 . . . . 0.0 110.279 177.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.91 -50.19 67.49 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.67 1.588 . . . . 0.0 109.683 -174.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.33 -45.37 80.5 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.702 0.801 . . . . 0.0 111.013 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -55.22 -44.72 75.67 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.214 0.606 . . . . 0.0 110.408 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.9 -58.97 3.68 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.801 0.84 . . . . 0.0 111.545 -176.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -90.09 -59.04 2.3 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 122.795 0.438 . . . . 0.0 111.831 -169.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -69.61 -37.86 77.03 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 122.819 0.448 . . . . 0.0 110.428 -169.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 . . . . . 0 CA--C 1.534 0.359 0 C-N-CA 124.373 1.069 . . . . 0.0 109.856 169.331 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 CA--C 1.533 0.292 0 CA-C-O 118.746 -0.645 . . . . 0.0 112.336 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -65.36 -63.07 1.19 Allowed 'General case' 0 C--N 1.341 0.207 0 CA-C-N 119.348 0.976 . . . . 0.0 111.194 -173.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -55.21 -40.13 70.46 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.723 0.809 . . . . 0.0 111.106 176.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 tt -62.44 -48.97 77.33 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 126.372 1.869 . . . . 0.0 109.639 -175.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.27 -42.62 88.21 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.114 0.966 . . . . 0.0 111.154 173.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -57.18 -52.95 63.26 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.761 0.824 . . . . 0.0 111.203 -172.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -67.31 -38.43 84.96 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -101.82 -81.47 0.49 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.089 0.556 . . . . 0.0 111.681 -174.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -93.51 65.73 3.78 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.03 0.932 . . . . 0.0 110.486 -169.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 . . . . . 0 N--CA 1.455 -0.224 0 C-N-CA 125.056 1.342 . . . . 0.0 108.29 171.054 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.535 0.401 0 N-CA-C 110.587 -0.153 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -43.78 -60.62 1.73 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.813 1.645 . . . . 0.0 114.081 -169.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 45.3 p-90 -57.03 -39.76 75.44 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.197 0.999 . . . . 0.0 111.478 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.35 -53.87 41.9 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.906 1.282 . . . . 0.0 108.274 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.15 -41.66 79.59 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.195 0.598 . . . . 0.0 112.011 175.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -57.88 -53.19 61.03 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.357 0.663 . . . . 0.0 111.658 -178.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -80.8 -46.61 15.1 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -176.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -79.69 -65.21 1.03 Allowed 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.462 0.574 . . . . 0.0 111.719 -173.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -71.29 -48.82 48.37 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 122.932 0.493 . . . . 0.0 111.669 -168.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 175.064 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 119.364 -0.35 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -53.91 -39.82 66.14 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 124.149 0.98 . . . . 0.0 110.57 174.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 39.8 p-90 -56.56 -41.68 77.29 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 122.766 0.426 . . . . 0.0 110.908 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 tt -73.61 -54.82 7.28 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.142 1.377 . . . . 0.0 108.568 -176.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.46 -52.51 65.09 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.531 1.132 . . . . 0.0 111.24 -175.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -88.28 22.37 2.5 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -174.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -100.28 -53.81 3.03 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 168.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -95.85 -53.34 3.73 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.152 0.981 . . . . 0.0 110.805 -176.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.2 31.45 0.89 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.855 0.862 . . . . 0.0 111.349 -171.609 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 . . . . . 0 CA--C 1.532 0.283 0 C-N-CA 123.223 0.609 . . . . 0.0 110.257 -173.14 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.016 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -152.79 73.87 7.15 Favored Pre-proline 0 CA--C 1.536 0.414 0 C-N-CA 123.953 0.901 . . . . 0.0 110.091 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -78.5 69.77 7.56 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 123.518 2.812 . . . . 0.0 110.183 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.0 mt -90.1 -2.17 58.05 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.159 0.984 . . . . 0.0 112.028 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -60.88 -61.9 2.24 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.976 0.91 . . . . 0.0 110.912 -173.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -62.29 -38.59 89.96 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.6 1.16 . . . . 0.0 110.843 176.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.57 -47.76 83.19 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.513 1.525 . . . . 0.0 109.801 -174.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.59 -37.98 71.38 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.62 1.168 . . . . 0.0 112.728 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.35 -41.23 96.72 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 118.069 0.395 . . . . 0.0 110.767 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -81.98 -51.49 8.0 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.082 0.953 . . . . 0.0 111.019 -175.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -80.69 -63.54 1.39 Allowed 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.422 0.689 . . . . 0.0 110.741 -169.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -76.55 -49.09 17.28 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.065 0.546 . . . . 0.0 110.843 -169.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -87.86 166.93 14.21 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.253 1.021 . . . . 0.0 109.715 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.046 0 O-C-N 122.147 -0.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.032 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.3 ptp85 39.69 70.12 1.53 Allowed Pre-proline 0 CA--C 1.539 0.521 0 C-N-CA 126.182 1.793 . . . . 0.0 113.407 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -72.62 77.85 2.13 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.636 2.891 . . . . 0.0 109.147 173.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.9 tp -90.13 -29.67 18.15 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.814 1.246 . . . . 0.0 111.359 -172.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -39.86 -58.35 1.39 Allowed 'General case' 0 C--N 1.343 0.291 0 C-N-CA 125.958 1.703 . . . . 0.0 113.848 -172.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 45.9 p-90 -52.18 -44.99 64.94 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 122.847 0.459 . . . . 0.0 111.322 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.94 -49.84 66.49 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.54 1.536 . . . . 0.0 108.758 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.09 -56.48 17.62 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.222 1.009 . . . . 0.0 111.193 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -64.76 -46.93 80.08 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 122.427 0.291 . . . . 0.0 111.277 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.37 -53.19 60.56 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.334 0.653 . . . . 0.0 111.72 -175.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -88.45 -44.04 11.02 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 118.982 -0.532 . . . . 0.0 112.433 -170.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -106.39 -69.39 0.83 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.359 0.527 . . . . 0.0 111.819 -169.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -87.26 63.97 8.06 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.565 1.146 . . . . 0.0 109.581 -172.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.048 0 O-C-N 122.107 -0.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.016 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -133.18 75.49 71.01 Favored Pre-proline 0 CA--C 1.533 0.299 0 C-N-CA 124.241 1.016 . . . . 0.0 109.829 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -83.05 51.38 3.64 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 123.758 2.972 . . . . 0.0 110.489 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.0 -20.38 23.33 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.532 1.133 . . . . 0.0 111.01 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -56.86 -61.77 2.2 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.731 0.812 . . . . 0.0 111.006 -177.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 30.3 p-90 -60.33 -38.77 84.78 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.808 0.443 . . . . 0.0 111.008 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tt -68.62 -48.78 63.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.561 1.144 . . . . 0.0 109.808 -170.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.74 93.52 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.798 0.839 . . . . 0.0 111.036 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -58.07 -41.25 83.0 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.902 0.481 . . . . 0.0 111.179 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -68.12 -63.44 1.06 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.357 1.063 . . . . 0.0 110.859 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -95.83 -59.4 1.87 Allowed 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.585 0.754 . . . . 0.0 112.061 -169.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -83.61 63.46 7.41 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.467 0.707 . . . . 0.0 110.796 -169.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -140.68 -54.29 0.5 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.277 1.031 . . . . 0.0 109.524 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.017 0 O-C-N 122.253 -0.279 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.042 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -67.76 138.91 93.32 Favored Pre-proline 0 CA--C 1.537 0.473 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -68.49 103.05 0.9 Allowed 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.851 2.368 . . . . 0.0 110.335 176.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.2 mp -90.1 -1.69 57.99 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.456 1.102 . . . . 0.0 112.033 175.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -61.84 -61.62 2.37 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.253 0.933 . . . . 0.0 110.978 -176.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 51.6 p-90 -63.44 -36.65 84.44 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.488 0.715 . . . . 0.0 110.703 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.24 -50.3 70.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.676 1.19 . . . . 0.0 109.041 -175.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.08 -38.58 89.37 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.606 0.762 . . . . 0.0 112.014 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -59.1 -51.54 69.6 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.185 0.448 . . . . 0.0 110.936 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -73.02 -55.95 5.81 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -175.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -80.45 -63.58 1.38 Allowed 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.827 0.851 . . . . 0.0 111.559 -169.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -70.47 -43.5 69.67 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.608 0.363 . . . . 0.0 110.96 -169.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -99.05 172.56 7.32 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.15 1.38 . . . . 0.0 110.065 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.046 0 O-C-N 122.083 -0.386 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.051 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 -147.96 85.22 6.57 Favored Pre-proline 0 CA--C 1.532 0.285 0 C-N-CA 124.104 0.962 . . . . 0.0 108.768 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -82.34 53.27 4.44 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.508 2.806 . . . . 0.0 109.889 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.7 tp -91.19 -28.58 17.75 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.173 1.389 . . . . 0.0 110.43 170.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -49.89 -47.21 52.17 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 125.47 1.508 . . . . 0.0 113.228 -169.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -55.26 -44.65 75.8 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.891 0.477 . . . . 0.0 110.956 177.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.12 -35.22 76.17 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.429 1.492 . . . . 0.0 110.039 -178.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.17 -49.76 66.27 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 121.874 -0.516 . . . . 0.0 110.797 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -59.66 -72.31 0.11 Allowed 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 125.236 1.414 . . . . 0.0 112.498 -171.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -79.71 31.3 0.24 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -169.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -143.9 -56.48 0.38 Allowed 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.889 1.276 . . . . 0.0 109.223 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -106.53 -61.85 1.47 Allowed 'General case' 0 C--N 1.341 0.234 0 C-N-CA 123.921 0.888 . . . . 0.0 110.225 -171.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -83.71 68.0 9.71 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.423 1.089 . . . . 0.0 108.89 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.09 0 O-C-N 122.194 -0.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.007 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 52.71 70.33 1.91 Allowed Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 125.227 1.411 . . . . 0.0 111.599 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -80.08 66.13 8.83 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 123.783 2.988 . . . . 0.0 110.291 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.64 -29.8 17.53 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.602 1.161 . . . . 0.0 111.158 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -50.97 -62.1 1.82 Allowed 'General case' 0 C--N 1.341 0.238 0 C-N-CA 124.304 1.042 . . . . 0.0 112.928 -170.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 -50.84 -41.73 57.98 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.386 0.674 . . . . 0.0 111.517 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tt -66.01 -54.79 21.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.935 1.294 . . . . 0.0 108.993 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.49 -44.05 84.63 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.197 0.999 . . . . 0.0 112.026 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.06 -51.57 69.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.956 0.902 . . . . 0.0 111.216 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -66.88 -58.82 4.25 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.83 0.452 . . . . 0.0 111.352 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -80.14 -67.68 0.74 Allowed 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.594 0.758 . . . . 0.0 111.89 -169.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.0 m-30 -69.59 -40.17 76.86 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.018 0.527 . . . . 0.0 111.817 -168.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -100.81 32.49 3.13 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.727 1.211 . . . . 0.0 109.811 174.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.035 0 O-C-N 121.682 -0.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.044 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . 0.266 0.2 OUTLIER 14.09 74.2 0.12 Allowed Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 128.862 2.865 . . . . 0.0 114.795 . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -82.87 68.19 7.6 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 123.347 2.698 . . . . 0.0 110.617 -172.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -90.6 -48.94 6.77 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.372 1.069 . . . . 0.0 109.932 173.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -42.23 -57.15 2.64 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 126.223 1.809 . . . . 0.0 113.759 -169.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 41.1 p-90 -51.26 -44.13 61.69 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.444 0.566 . . . . 0.0 111.543 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 tt -69.4 -54.44 14.37 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.168 1.387 . . . . 0.0 108.526 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.427 ' HB1' ' H12' ' A' ' 17' ' ' LNK . . . -62.66 -43.75 98.02 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.287 1.435 . . . . 0.0 112.535 -170.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -54.99 -56.04 24.15 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 124.252 1.021 . . . . 0.0 110.536 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -64.65 -56.17 15.51 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.174 0.59 . . . . 0.0 111.705 -176.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -79.92 -61.32 2.03 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.649 0.78 . . . . 0.0 110.963 -170.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -69.84 -44.89 69.0 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -169.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -98.68 41.27 1.15 Allowed 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 169.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.007 0 O-C-N 121.508 -0.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LNK . . . . . 0.427 ' H12' ' HB1' ' A' ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.039 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 53.49 64.79 6.38 Favored Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 125.338 1.455 . . . . 0.0 111.678 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -77.91 73.82 5.53 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 123.733 2.955 . . . . 0.0 110.536 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.9 tp -90.42 -25.51 20.34 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.01 1.324 . . . . 0.0 111.325 177.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -39.75 -61.38 0.84 Allowed 'General case' 0 C--N 1.344 0.333 0 C-N-CA 126.915 2.086 . . . . 0.0 113.184 -172.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 42.7 p-90 -55.78 -42.11 75.05 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.319 1.048 . . . . 0.0 111.624 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tt -66.13 -55.44 16.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.091 1.357 . . . . 0.0 108.504 -175.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.09 -40.5 70.49 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.012 0.925 . . . . 0.0 111.651 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.35 -64.12 1.0 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.88 0.872 . . . . 0.0 111.095 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -68.91 -43.81 74.45 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -169.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -79.95 -59.62 2.66 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-N 118.033 0.379 . . . . 0.0 111.467 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -87.26 -58.51 2.56 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 122.82 0.448 . . . . 0.0 111.543 -169.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -90.64 56.19 3.21 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.821 0.849 . . . . 0.0 110.07 -173.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.078 0 O-C-N 122.221 -0.3 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.005 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 54.61 69.16 2.21 Favored Pre-proline 0 CA--C 1.539 0.526 0 C-N-CA 124.794 1.238 . . . . 0.0 111.33 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -82.11 57.61 6.3 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.373 2.715 . . . . 0.0 109.512 176.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.78 -48.74 6.85 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.655 1.182 . . . . 0.0 110.942 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -49.46 -48.31 47.7 Favored 'General case' 0 C--N 1.341 0.214 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -169.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 38.2 p-90 -54.78 -36.01 64.42 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.258 0.936 . . . . 0.0 111.58 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tt -77.8 -53.32 7.64 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.403 1.481 . . . . 0.0 108.585 -178.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.81 -45.08 90.75 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.497 1.119 . . . . 0.0 112.422 -176.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.18 -22.16 64.84 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.096 0.558 . . . . 0.0 112.385 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -88.88 -54.0 4.34 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.695 0.798 . . . . 0.0 109.916 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -94.07 -65.27 1.0 Allowed 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.572 1.149 . . . . 0.0 111.253 -173.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -81.19 67.22 7.03 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.004 0.922 . . . . 0.0 111.984 -169.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -121.7 154.06 37.36 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.243 1.417 . . . . 0.0 108.863 172.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.066 0 O-C-N 122.243 -0.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.025 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -133.7 76.99 65.04 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 124.24 1.016 . . . . 0.0 109.179 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -76.65 77.66 3.59 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 123.791 2.994 . . . . 0.0 109.823 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.6 mt -90.4 17.49 7.23 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.124 0.97 . . . . 0.0 111.354 173.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -62.31 -54.06 46.1 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.65 0.659 . . . . 0.0 110.224 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -54.54 -41.14 69.37 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.016 0.927 . . . . 0.0 110.823 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.95 -49.83 68.79 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.447 1.499 . . . . 0.0 108.945 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.87 -47.09 84.82 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.186 0.994 . . . . 0.0 111.714 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -55.16 -36.66 66.07 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.541 0.737 . . . . 0.0 112.031 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -76.62 -64.08 1.2 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.028 0.531 . . . . 0.0 110.529 177.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -80.15 -67.19 0.79 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.981 0.913 . . . . 0.0 110.944 -172.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -83.33 59.66 5.16 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.526 1.13 . . . . 0.0 110.783 -170.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -155.36 -50.97 0.09 Allowed 'General case' 0 C--N 1.34 0.176 0 C-N-CA 123.727 0.811 . . . . 0.0 110.078 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.014 0 O-C-N 122.311 -0.243 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -71.92 121.54 84.84 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -80.91 63.94 8.84 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.587 2.858 . . . . 0.0 110.308 -176.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.1 tp -91.09 -33.45 15.47 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.21 1.404 . . . . 0.0 111.324 174.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -44.41 -53.18 7.11 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.497 1.919 . . . . 0.0 113.906 -169.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 42.1 p-90 -53.42 -46.38 69.74 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.235 0.614 . . . . 0.0 111.075 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.53 -54.27 38.74 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.434 1.494 . . . . 0.0 108.46 -178.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.96 -52.51 32.98 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.586 1.154 . . . . 0.0 111.636 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -60.86 -61.79 2.33 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.219 1.008 . . . . 0.0 111.681 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -61.92 -40.57 95.94 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.29 0.636 . . . . 0.0 111.85 -169.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -84.65 -49.51 8.47 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 122.821 0.449 . . . . 0.0 111.099 -174.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -109.49 -65.0 1.19 Allowed 'General case' 0 C--N 1.342 0.262 0 C-N-CA 123.113 0.565 . . . . 0.0 111.924 -169.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -84.3 67.19 9.72 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.535 1.134 . . . . 0.0 109.355 -172.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.067 0 CA-C-N 116.312 -0.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.025 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.23 66.93 3.81 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 125.538 1.535 . . . . 0.0 110.788 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -80.59 61.99 8.4 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 123.69 2.927 . . . . 0.0 110.131 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.71 -34.62 15.31 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.594 1.158 . . . . 0.0 110.856 176.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -50.78 -57.39 8.48 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.846 1.259 . . . . 0.0 113.152 -169.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 44.1 p-90 -55.59 -38.67 69.71 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.445 0.698 . . . . 0.0 111.711 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 tt -69.57 -54.18 15.34 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.722 1.209 . . . . 0.0 108.5 -175.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.75 -45.64 78.02 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.667 1.187 . . . . 0.0 111.587 177.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -46.43 -48.38 18.83 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.902 1.281 . . . . 0.0 111.339 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -84.64 -52.04 6.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.64 0.776 . . . . 0.0 111.995 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -79.76 -41.87 25.69 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -168.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -146.77 78.05 1.48 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.697 0.68 . . . . 0.0 111.084 -174.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -149.7 89.64 1.64 Allowed 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 170.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.062 0 O-C-N 122.139 -0.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.058 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -131.38 77.49 73.77 Favored Pre-proline 0 CA--C 1.532 0.274 0 C-N-CA 124.377 1.071 . . . . 0.0 109.066 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -79.16 67.41 8.6 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.479 2.786 . . . . 0.0 110.12 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.9 tp -90.77 -27.91 18.59 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.982 1.313 . . . . 0.0 111.342 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -47.79 -53.33 15.74 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 125.447 1.499 . . . . 0.0 113.762 -169.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 47.2 p-90 -55.55 -41.86 73.83 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.447 0.699 . . . . 0.0 111.255 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 tt -66.43 -53.79 31.62 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.497 1.519 . . . . 0.0 108.912 -175.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.33 -47.44 86.01 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.326 1.051 . . . . 0.0 111.766 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -53.73 -45.35 70.48 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.182 0.993 . . . . 0.0 110.958 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -72.41 -62.42 1.45 Allowed 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.683 0.393 . . . . 0.0 111.453 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -80.98 -59.92 2.49 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -168.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.4 m-30 -69.8 -46.34 65.92 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 122.628 0.371 . . . . 0.0 110.776 -169.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -83.69 -60.33 2.15 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.032 0.933 . . . . 0.0 109.328 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.005 0 O-C-N 122.244 -0.285 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.018 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -131.97 82.56 59.18 Favored Pre-proline 0 CA--C 1.534 0.343 0 C-N-CA 124.842 1.257 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -81.3 49.41 3.2 Favored 'Trans proline' 0 CA--C 1.537 0.637 0 C-N-CA 123.455 2.77 . . . . 0.0 111.079 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.9 -21.26 21.48 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.503 1.521 . . . . 0.0 109.423 169.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -62.25 -51.25 68.49 Favored 'General case' 0 C--N 1.342 0.256 0 C-N-CA 124.223 1.009 . . . . 0.0 111.892 -169.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 46.2 p-90 -60.65 -42.86 97.84 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.463 0.705 . . . . 0.0 110.032 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.22 -42.91 99.73 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.115 1.366 . . . . 0.0 109.33 -175.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.91 -58.06 7.91 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.203 1.001 . . . . 0.0 111.656 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -60.53 -33.33 72.49 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.373 0.533 . . . . 0.0 112.123 -176.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -71.08 -65.66 0.71 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.224 0.61 . . . . 0.0 110.798 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -87.94 -52.02 5.51 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.119 0.568 . . . . 0.0 112.117 -169.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -69.48 -37.93 77.47 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -171.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.85 40.3 1.6 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.782 0.833 . . . . 0.0 109.193 169.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.059 0 O-C-N 121.736 -0.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.038 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 51.48 62.75 10.59 Favored Pre-proline 0 CA--C 1.536 0.439 0 C-N-CA 125.256 1.422 . . . . 0.0 112.146 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -82.14 54.89 5.18 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 123.657 2.905 . . . . 0.0 110.672 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 mp -90.34 24.68 2.48 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.785 0.834 . . . . 0.0 110.67 177.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -68.49 -58.07 4.86 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.682 0.793 . . . . 0.0 109.015 -177.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -57.56 -37.21 72.74 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.514 1.125 . . . . 0.0 110.858 174.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.77 -51.06 62.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.936 0.895 . . . . 0.0 108.832 -174.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.46 -46.73 85.99 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.44 0.696 . . . . 0.0 111.586 175.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -55.47 -53.56 54.75 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.701 0.8 . . . . 0.0 111.032 177.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.57 -57.97 8.45 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.264 1.426 . . . . 0.0 111.162 -175.129 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -80.72 -66.87 0.83 Allowed 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.192 0.597 . . . . 0.0 111.598 -169.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -77.51 -52.02 9.75 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.866 0.466 . . . . 0.0 111.951 -168.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -96.91 47.83 1.05 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.32 1.048 . . . . 0.0 110.319 -174.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.02 0 O-C-N 122.056 -0.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.049 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -131.14 76.99 75.57 Favored Pre-proline 0 CA--C 1.534 0.352 0 C-N-CA 124.581 1.153 . . . . 0.0 109.402 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -81.26 59.19 7.27 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 123.859 3.039 . . . . 0.0 110.474 -178.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.87 -45.75 8.6 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 124.492 1.117 . . . . 0.0 110.667 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -56.42 -35.22 67.56 Favored 'General case' 0 C--N 1.34 0.193 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -169.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 39.0 p-90 -61.35 -43.01 99.59 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.035 1.289 . . . . 0.0 110.121 176.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.45 -50.56 51.65 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 125.204 1.402 . . . . 0.0 108.415 -177.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.6 -49.79 75.25 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.391 0.677 . . . . 0.0 111.458 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -58.25 -49.44 77.11 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.762 0.825 . . . . 0.0 110.727 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -64.28 -57.25 9.97 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.612 0.765 . . . . 0.0 111.687 -177.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -87.12 -61.43 1.73 Allowed 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.753 0.821 . . . . 0.0 111.798 -170.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -72.54 -47.27 49.7 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.21 0.604 . . . . 0.0 112.272 -168.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -81.82 63.24 5.99 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.262 0.625 . . . . 0.0 109.663 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.085 0 O-C-N 122.011 -0.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.02 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 54.81 66.76 3.76 Favored Pre-proline 0 CA--C 1.537 0.453 0 C-N-CA 125.032 1.333 . . . . 0.0 111.441 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -76.78 72.96 5.51 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 123.691 2.927 . . . . 0.0 109.132 174.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.8 mt -83.31 8.58 13.09 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.908 0.883 . . . . 0.0 112.104 -178.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.7 mm100 -66.15 -61.37 2.06 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 119.241 0.928 . . . . 0.0 111.05 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 48.6 p-90 -57.88 -39.08 76.98 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 122.872 0.469 . . . . 0.0 110.279 177.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.91 -50.19 67.49 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.67 1.588 . . . . 0.0 109.683 -174.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.33 -45.37 80.5 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.702 0.801 . . . . 0.0 111.013 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -55.22 -44.72 75.67 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.214 0.606 . . . . 0.0 110.408 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.9 -58.97 3.68 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.801 0.84 . . . . 0.0 111.545 -176.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -90.09 -59.04 2.3 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 122.795 0.438 . . . . 0.0 111.831 -169.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -69.61 -37.86 77.03 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 122.819 0.448 . . . . 0.0 110.428 -169.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -106.34 32.98 4.08 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.373 1.069 . . . . 0.0 109.856 169.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.009 0 O-C-N 121.527 -0.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.025 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -119.99 80.32 26.2 Favored Pre-proline 0 CA--C 1.535 0.372 0 C-N-CA 124.962 1.305 . . . . 0.0 108.985 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -80.07 71.19 7.18 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 123.079 2.519 . . . . 0.0 109.692 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 81.6 mt -90.32 -1.32 57.91 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.874 0.869 . . . . 0.0 112.336 -178.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -65.36 -63.07 1.19 Allowed 'General case' 0 C--N 1.341 0.207 0 CA-C-N 119.348 0.976 . . . . 0.0 111.194 -173.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -55.21 -40.13 70.46 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.723 0.809 . . . . 0.0 111.106 176.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 tt -62.44 -48.97 77.33 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 126.372 1.869 . . . . 0.0 109.639 -175.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.27 -42.62 88.21 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.114 0.966 . . . . 0.0 111.154 173.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -57.18 -52.95 63.26 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.761 0.824 . . . . 0.0 111.203 -172.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -67.31 -38.43 84.96 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -101.82 -81.47 0.49 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.089 0.556 . . . . 0.0 111.681 -174.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -93.51 65.73 3.78 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.03 0.932 . . . . 0.0 110.486 -169.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -156.94 -59.73 0.09 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.056 1.342 . . . . 0.0 108.29 171.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.012 0 O-C-N 122.23 -0.294 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.01 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -61.99 -58.96 14.67 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-O 117.997 -1.001 . . . . 0.0 111.905 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -74.89 78.6 2.82 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.589 2.193 . . . . 0.0 110.051 177.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.58 -37.79 13.59 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.281 1.432 . . . . 0.0 110.587 -178.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -43.78 -60.62 1.73 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.813 1.645 . . . . 0.0 114.081 -169.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 45.3 p-90 -57.03 -39.76 75.44 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.197 0.999 . . . . 0.0 111.478 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.35 -53.87 41.9 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.906 1.282 . . . . 0.0 108.274 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.15 -41.66 79.59 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.195 0.598 . . . . 0.0 112.011 175.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -57.88 -53.19 61.03 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.357 0.663 . . . . 0.0 111.658 -178.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -80.8 -46.61 15.1 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -176.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -79.69 -65.21 1.03 Allowed 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.462 0.574 . . . . 0.0 111.719 -173.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -71.29 -48.82 48.37 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 122.932 0.493 . . . . 0.0 111.669 -168.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -79.55 -56.99 3.91 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 175.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.08 0 O-C-N 122.284 -0.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.016 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -132.34 80.89 62.16 Favored Pre-proline 0 CA--C 1.534 0.331 0 C-N-CA 124.51 1.124 . . . . 0.0 108.894 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -81.0 59.72 7.58 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.797 2.998 . . . . 0.0 110.39 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 pp -90.27 23.61 2.84 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.022 0.929 . . . . 0.0 111.545 172.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -53.91 -39.82 66.14 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 124.149 0.98 . . . . 0.0 110.57 174.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 39.8 p-90 -56.56 -41.68 77.29 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 122.766 0.426 . . . . 0.0 110.908 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 tt -73.61 -54.82 7.28 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.142 1.377 . . . . 0.0 108.568 -176.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.46 -52.51 65.09 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.531 1.132 . . . . 0.0 111.24 -175.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -88.28 22.37 2.5 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -174.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -100.28 -53.81 3.03 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 168.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -95.85 -53.34 3.73 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.152 0.981 . . . . 0.0 110.805 -176.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.2 31.45 0.89 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.855 0.862 . . . . 0.0 111.349 -171.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -82.54 70.03 9.42 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.223 0.609 . . . . 0.0 110.257 -173.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.053 0 O-C-N 122.013 -0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.0 mt . . . . . 0 CA--C 1.534 0.352 0 CA-C-O 119.24 -0.41 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -60.88 -61.9 2.24 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.976 0.91 . . . . 0.0 110.912 -173.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -62.29 -38.59 89.96 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.6 1.16 . . . . 0.0 110.843 176.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.57 -47.76 83.19 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.513 1.525 . . . . 0.0 109.801 -174.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.59 -37.98 71.38 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.62 1.168 . . . . 0.0 112.728 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.35 -41.23 96.72 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 118.069 0.395 . . . . 0.0 110.767 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -81.98 -51.49 8.0 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.082 0.953 . . . . 0.0 111.019 -175.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -80.69 -63.54 1.39 Allowed 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.422 0.689 . . . . 0.0 110.741 -169.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -76.55 -49.09 17.28 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.065 0.546 . . . . 0.0 110.843 -169.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 . . . . . 0 CA--C 1.531 0.248 0 C-N-CA 124.253 1.021 . . . . 0.0 109.715 178.73 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.9 tp . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 118.911 -0.566 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -39.86 -58.35 1.39 Allowed 'General case' 0 C--N 1.343 0.291 0 C-N-CA 125.958 1.703 . . . . 0.0 113.848 -172.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 45.9 p-90 -52.18 -44.99 64.94 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 122.847 0.459 . . . . 0.0 111.322 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.94 -49.84 66.49 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.54 1.536 . . . . 0.0 108.758 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.09 -56.48 17.62 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.222 1.009 . . . . 0.0 111.193 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -64.76 -46.93 80.08 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 122.427 0.291 . . . . 0.0 111.277 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.37 -53.19 60.56 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.334 0.653 . . . . 0.0 111.72 -175.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -88.45 -44.04 11.02 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 118.982 -0.532 . . . . 0.0 112.433 -170.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -106.39 -69.39 0.83 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.359 0.527 . . . . 0.0 111.819 -169.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 . . . . . 0 CA--C 1.532 0.254 0 C-N-CA 124.565 1.146 . . . . 0.0 109.581 -172.167 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 CA--C 1.53 0.195 0 CA-C-O 119.052 -0.499 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -56.86 -61.77 2.2 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.731 0.812 . . . . 0.0 111.006 -177.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 30.3 p-90 -60.33 -38.77 84.78 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.808 0.443 . . . . 0.0 111.008 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tt -68.62 -48.78 63.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.561 1.144 . . . . 0.0 109.808 -170.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.74 93.52 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.798 0.839 . . . . 0.0 111.036 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -58.07 -41.25 83.0 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.902 0.481 . . . . 0.0 111.179 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -68.12 -63.44 1.06 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.357 1.063 . . . . 0.0 110.859 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -95.83 -59.4 1.87 Allowed 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.585 0.754 . . . . 0.0 112.061 -169.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -83.61 63.46 7.41 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.467 0.707 . . . . 0.0 110.796 -169.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 . . . . . 0 N--CA 1.454 -0.245 0 C-N-CA 124.277 1.031 . . . . 0.0 109.524 -179.413 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 CA--C 1.535 0.382 0 CA-C-O 118.905 -0.569 . . . . 0.0 112.033 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -61.84 -61.62 2.37 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.253 0.933 . . . . 0.0 110.978 -176.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 51.6 p-90 -63.44 -36.65 84.44 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.488 0.715 . . . . 0.0 110.703 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.24 -50.3 70.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.676 1.19 . . . . 0.0 109.041 -175.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.08 -38.58 89.37 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.606 0.762 . . . . 0.0 112.014 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -59.1 -51.54 69.6 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.185 0.448 . . . . 0.0 110.936 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -73.02 -55.95 5.81 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -175.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -80.45 -63.58 1.38 Allowed 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.827 0.851 . . . . 0.0 111.559 -169.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -70.47 -43.5 69.67 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.608 0.363 . . . . 0.0 110.96 -169.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 . . . . . 0 CA--C 1.531 0.238 0 C-N-CA 125.15 1.38 . . . . 0.0 110.065 -179.703 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.7 tp . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -49.89 -47.21 52.17 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 125.47 1.508 . . . . 0.0 113.228 -169.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -55.26 -44.65 75.8 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.891 0.477 . . . . 0.0 110.956 177.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.12 -35.22 76.17 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.429 1.492 . . . . 0.0 110.039 -178.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.17 -49.76 66.27 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 121.874 -0.516 . . . . 0.0 110.797 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -59.66 -72.31 0.11 Allowed 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 125.236 1.414 . . . . 0.0 112.498 -171.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -79.71 31.3 0.24 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -169.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -143.9 -56.48 0.38 Allowed 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.889 1.276 . . . . 0.0 109.223 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -106.53 -61.85 1.47 Allowed 'General case' 0 C--N 1.341 0.234 0 C-N-CA 123.921 0.888 . . . . 0.0 110.225 -171.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 CA--C 1.534 0.358 0 C-N-CA 124.423 1.089 . . . . 0.0 108.89 -179.218 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 CA--C 1.53 0.205 0 CA-C-O 118.94 -0.552 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -50.97 -62.1 1.82 Allowed 'General case' 0 C--N 1.341 0.238 0 C-N-CA 124.304 1.042 . . . . 0.0 112.928 -170.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 -50.84 -41.73 57.98 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.386 0.674 . . . . 0.0 111.517 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tt -66.01 -54.79 21.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.935 1.294 . . . . 0.0 108.993 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.49 -44.05 84.63 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.197 0.999 . . . . 0.0 112.026 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.06 -51.57 69.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.956 0.902 . . . . 0.0 111.216 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -66.88 -58.82 4.25 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.83 0.452 . . . . 0.0 111.352 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -80.14 -67.68 0.74 Allowed 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.594 0.758 . . . . 0.0 111.89 -169.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.0 m-30 -69.59 -40.17 76.86 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.018 0.527 . . . . 0.0 111.817 -168.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 . . . . . 0 CA--C 1.535 0.372 0 C-N-CA 124.727 1.211 . . . . 0.0 109.811 174.289 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 CA--C 1.529 0.138 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -42.23 -57.15 2.64 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 126.223 1.809 . . . . 0.0 113.759 -169.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 41.1 p-90 -51.26 -44.13 61.69 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.444 0.566 . . . . 0.0 111.543 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 tt -69.4 -54.44 14.37 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.168 1.387 . . . . 0.0 108.526 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.75 98.02 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.287 1.435 . . . . 0.0 112.535 -170.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -54.99 -56.04 24.15 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 124.252 1.021 . . . . 0.0 110.536 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -64.65 -56.17 15.51 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.174 0.59 . . . . 0.0 111.705 -176.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -79.92 -61.32 2.03 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.649 0.78 . . . . 0.0 110.963 -170.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -69.84 -44.89 69.0 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -169.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 169.258 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.9 tp . . . . . 0 CA--C 1.535 0.377 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -39.75 -61.38 0.84 Allowed 'General case' 0 C--N 1.344 0.333 0 C-N-CA 126.915 2.086 . . . . 0.0 113.184 -172.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 42.7 p-90 -55.78 -42.11 75.05 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.319 1.048 . . . . 0.0 111.624 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tt -66.13 -55.44 16.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.091 1.357 . . . . 0.0 108.504 -175.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.09 -40.5 70.49 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.012 0.925 . . . . 0.0 111.651 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.35 -64.12 1.0 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.88 0.872 . . . . 0.0 111.095 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -68.91 -43.81 74.45 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -169.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -79.95 -59.62 2.66 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-N 118.033 0.379 . . . . 0.0 111.467 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -87.26 -58.51 2.56 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 122.82 0.448 . . . . 0.0 111.543 -169.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 . . . . . 0 CA--C 1.532 0.258 0 C-N-CA 123.821 0.849 . . . . 0.0 110.07 -173.087 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 119.175 -0.44 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -49.46 -48.31 47.7 Favored 'General case' 0 C--N 1.341 0.214 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -169.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 38.2 p-90 -54.78 -36.01 64.42 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.258 0.936 . . . . 0.0 111.58 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tt -77.8 -53.32 7.64 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.403 1.481 . . . . 0.0 108.585 -178.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.81 -45.08 90.75 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.497 1.119 . . . . 0.0 112.422 -176.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.18 -22.16 64.84 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.096 0.558 . . . . 0.0 112.385 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -88.88 -54.0 4.34 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.695 0.798 . . . . 0.0 109.916 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -94.07 -65.27 1.0 Allowed 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.572 1.149 . . . . 0.0 111.253 -173.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -81.19 67.22 7.03 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.004 0.922 . . . . 0.0 111.984 -169.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 . . . . . 0 CA--C 1.53 0.177 0 C-N-CA 125.243 1.417 . . . . 0.0 108.863 172.375 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.6 mt . . . . . 0 CA--C 1.535 0.399 0 CA-C-O 119.349 -0.358 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -62.31 -54.06 46.1 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.65 0.659 . . . . 0.0 110.224 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -54.54 -41.14 69.37 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.016 0.927 . . . . 0.0 110.823 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.95 -49.83 68.79 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.447 1.499 . . . . 0.0 108.945 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.87 -47.09 84.82 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.186 0.994 . . . . 0.0 111.714 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -55.16 -36.66 66.07 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.541 0.737 . . . . 0.0 112.031 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -76.62 -64.08 1.2 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.028 0.531 . . . . 0.0 110.529 177.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -80.15 -67.19 0.79 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.981 0.913 . . . . 0.0 110.944 -172.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -83.33 59.66 5.16 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.526 1.13 . . . . 0.0 110.783 -170.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 . . . . . 0 C--N 1.34 0.176 0 C-N-CA 123.727 0.811 . . . . 0.0 110.078 -176.936 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.1 tp . . . . . 0 CA--C 1.533 0.32 0 CA-C-O 119.658 -0.21 . . . . 0.0 111.324 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -44.41 -53.18 7.11 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.497 1.919 . . . . 0.0 113.906 -169.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 42.1 p-90 -53.42 -46.38 69.74 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.235 0.614 . . . . 0.0 111.075 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.53 -54.27 38.74 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.434 1.494 . . . . 0.0 108.46 -178.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.96 -52.51 32.98 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.586 1.154 . . . . 0.0 111.636 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -60.86 -61.79 2.33 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.219 1.008 . . . . 0.0 111.681 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -61.92 -40.57 95.94 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.29 0.636 . . . . 0.0 111.85 -169.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -84.65 -49.51 8.47 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 122.821 0.449 . . . . 0.0 111.099 -174.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -109.49 -65.0 1.19 Allowed 'General case' 0 C--N 1.342 0.262 0 C-N-CA 123.113 0.565 . . . . 0.0 111.924 -169.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 . . . . . 0 CA--C 1.532 0.256 0 C-N-CA 124.535 1.134 . . . . 0.0 109.355 -172.656 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 119.335 -0.364 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -50.78 -57.39 8.48 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.846 1.259 . . . . 0.0 113.152 -169.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 44.1 p-90 -55.59 -38.67 69.71 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.445 0.698 . . . . 0.0 111.711 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 tt -69.57 -54.18 15.34 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.722 1.209 . . . . 0.0 108.5 -175.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.75 -45.64 78.02 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.667 1.187 . . . . 0.0 111.587 177.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -46.43 -48.38 18.83 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.902 1.281 . . . . 0.0 111.339 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -84.64 -52.04 6.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.64 0.776 . . . . 0.0 111.995 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -79.76 -41.87 25.69 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -168.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -146.77 78.05 1.48 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.697 0.68 . . . . 0.0 111.084 -174.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 170.377 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.9 tp . . . . . 0 CA--C 1.534 0.336 0 CA-C-O 119.817 -0.135 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -47.79 -53.33 15.74 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 125.447 1.499 . . . . 0.0 113.762 -169.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 47.2 p-90 -55.55 -41.86 73.83 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.447 0.699 . . . . 0.0 111.255 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 tt -66.43 -53.79 31.62 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.497 1.519 . . . . 0.0 108.912 -175.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.33 -47.44 86.01 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.326 1.051 . . . . 0.0 111.766 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -53.73 -45.35 70.48 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.182 0.993 . . . . 0.0 110.958 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -72.41 -62.42 1.45 Allowed 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.683 0.393 . . . . 0.0 111.453 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -80.98 -59.92 2.49 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -168.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.4 m-30 -69.8 -46.34 65.92 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 122.628 0.371 . . . . 0.0 110.776 -169.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 . . . . . 0 N--CA 1.454 -0.256 0 C-N-CA 124.032 0.933 . . . . 0.0 109.328 179.936 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -62.25 -51.25 68.49 Favored 'General case' 0 C--N 1.342 0.256 0 C-N-CA 124.223 1.009 . . . . 0.0 111.892 -169.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 46.2 p-90 -60.65 -42.86 97.84 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.463 0.705 . . . . 0.0 110.032 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.22 -42.91 99.73 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.115 1.366 . . . . 0.0 109.33 -175.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.91 -58.06 7.91 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.203 1.001 . . . . 0.0 111.656 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -60.53 -33.33 72.49 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.373 0.533 . . . . 0.0 112.123 -176.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -71.08 -65.66 0.71 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.224 0.61 . . . . 0.0 110.798 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -87.94 -52.02 5.51 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.119 0.568 . . . . 0.0 112.117 -169.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -69.48 -37.93 77.47 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -171.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.363 0 C-N-CA 123.782 0.833 . . . . 0.0 109.193 169.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 110.67 -0.122 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -68.49 -58.07 4.86 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.682 0.793 . . . . 0.0 109.015 -177.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -57.56 -37.21 72.74 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.514 1.125 . . . . 0.0 110.858 174.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.77 -51.06 62.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.936 0.895 . . . . 0.0 108.832 -174.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.46 -46.73 85.99 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.44 0.696 . . . . 0.0 111.586 175.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -55.47 -53.56 54.75 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.701 0.8 . . . . 0.0 111.032 177.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.57 -57.97 8.45 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.264 1.426 . . . . 0.0 111.162 -175.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -80.72 -66.87 0.83 Allowed 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.192 0.597 . . . . 0.0 111.598 -169.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -77.51 -52.02 9.75 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.866 0.466 . . . . 0.0 111.951 -168.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 . . . . . 0 CA--C 1.531 0.223 0 C-N-CA 124.32 1.048 . . . . 0.0 110.319 -174.914 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 119.659 -0.21 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -56.42 -35.22 67.56 Favored 'General case' 0 C--N 1.34 0.193 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -169.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 39.0 p-90 -61.35 -43.01 99.59 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.035 1.289 . . . . 0.0 110.121 176.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.45 -50.56 51.65 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 125.204 1.402 . . . . 0.0 108.415 -177.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.6 -49.79 75.25 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.391 0.677 . . . . 0.0 111.458 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -58.25 -49.44 77.11 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.762 0.825 . . . . 0.0 110.727 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -64.28 -57.25 9.97 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.612 0.765 . . . . 0.0 111.687 -177.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -87.12 -61.43 1.73 Allowed 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.753 0.821 . . . . 0.0 111.798 -170.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -72.54 -47.27 49.7 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.21 0.604 . . . . 0.0 112.272 -168.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 . . . . . 0 CA--C 1.533 0.302 0 C-N-CA 123.262 0.625 . . . . 0.0 109.663 177.412 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.8 mt . . . . . 0 CA--C 1.534 0.358 0 CA-C-O 119.046 -0.502 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.7 mm100 -66.15 -61.37 2.06 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 119.241 0.928 . . . . 0.0 111.05 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 48.6 p-90 -57.88 -39.08 76.98 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 122.872 0.469 . . . . 0.0 110.279 177.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.91 -50.19 67.49 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.67 1.588 . . . . 0.0 109.683 -174.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.33 -45.37 80.5 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.702 0.801 . . . . 0.0 111.013 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -55.22 -44.72 75.67 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.214 0.606 . . . . 0.0 110.408 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.9 -58.97 3.68 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.801 0.84 . . . . 0.0 111.545 -176.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -90.09 -59.04 2.3 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 122.795 0.438 . . . . 0.0 111.831 -169.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -69.61 -37.86 77.03 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 122.819 0.448 . . . . 0.0 110.428 -169.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 . . . . . 0 CA--C 1.534 0.359 0 C-N-CA 124.373 1.069 . . . . 0.0 109.856 169.331 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 CA--C 1.533 0.292 0 CA-C-O 118.746 -0.645 . . . . 0.0 112.336 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -65.36 -63.07 1.19 Allowed 'General case' 0 C--N 1.341 0.207 0 CA-C-N 119.348 0.976 . . . . 0.0 111.194 -173.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -55.21 -40.13 70.46 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.723 0.809 . . . . 0.0 111.106 176.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 tt -62.44 -48.97 77.33 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 126.372 1.869 . . . . 0.0 109.639 -175.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.27 -42.62 88.21 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.114 0.966 . . . . 0.0 111.154 173.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -57.18 -52.95 63.26 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.761 0.824 . . . . 0.0 111.203 -172.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -67.31 -38.43 84.96 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -101.82 -81.47 0.49 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.089 0.556 . . . . 0.0 111.681 -174.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -93.51 65.73 3.78 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.03 0.932 . . . . 0.0 110.486 -169.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 . . . . . 0 N--CA 1.455 -0.224 0 C-N-CA 125.056 1.342 . . . . 0.0 108.29 171.054 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.535 0.401 0 N-CA-C 110.587 -0.153 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -43.78 -60.62 1.73 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.813 1.645 . . . . 0.0 114.081 -169.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 45.3 p-90 -57.03 -39.76 75.44 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.197 0.999 . . . . 0.0 111.478 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.35 -53.87 41.9 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.906 1.282 . . . . 0.0 108.274 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.15 -41.66 79.59 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.195 0.598 . . . . 0.0 112.011 175.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -57.88 -53.19 61.03 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.357 0.663 . . . . 0.0 111.658 -178.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -80.8 -46.61 15.1 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -176.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -79.69 -65.21 1.03 Allowed 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.462 0.574 . . . . 0.0 111.719 -173.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -71.29 -48.82 48.37 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 122.932 0.493 . . . . 0.0 111.669 -168.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 175.064 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 119.364 -0.35 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -53.91 -39.82 66.14 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 124.149 0.98 . . . . 0.0 110.57 174.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 39.8 p-90 -56.56 -41.68 77.29 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 122.766 0.426 . . . . 0.0 110.908 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 tt -73.61 -54.82 7.28 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.142 1.377 . . . . 0.0 108.568 -176.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.46 -52.51 65.09 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.531 1.132 . . . . 0.0 111.24 -175.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -88.28 22.37 2.5 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -174.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -100.28 -53.81 3.03 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 168.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -95.85 -53.34 3.73 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.152 0.981 . . . . 0.0 110.805 -176.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.2 31.45 0.89 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.855 0.862 . . . . 0.0 111.349 -171.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 . . . . . 0 CA--C 1.532 0.283 0 C-N-CA 123.223 0.609 . . . . 0.0 110.257 -173.14 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.016 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -152.79 73.87 7.15 Favored Pre-proline 0 CA--C 1.536 0.414 0 C-N-CA 123.953 0.901 . . . . 0.0 110.091 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -78.5 69.77 7.56 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 123.518 2.812 . . . . 0.0 110.183 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.0 mt -90.1 -2.17 58.05 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.159 0.984 . . . . 0.0 112.028 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -60.88 -61.9 2.24 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.976 0.91 . . . . 0.0 110.912 -173.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -62.29 -38.59 89.96 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.6 1.16 . . . . 0.0 110.843 176.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.57 -47.76 83.19 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.513 1.525 . . . . 0.0 109.801 -174.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.59 -37.98 71.38 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.62 1.168 . . . . 0.0 112.728 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.35 -41.23 96.72 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 118.069 0.395 . . . . 0.0 110.767 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -81.98 -51.49 8.0 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.082 0.953 . . . . 0.0 111.019 -175.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -80.69 -63.54 1.39 Allowed 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.422 0.689 . . . . 0.0 110.741 -169.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -76.55 -49.09 17.28 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.065 0.546 . . . . 0.0 110.843 -169.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -87.86 166.93 14.21 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.253 1.021 . . . . 0.0 109.715 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.046 0 O-C-N 122.147 -0.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.032 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.3 ptp85 39.69 70.12 1.53 Allowed Pre-proline 0 CA--C 1.539 0.521 0 C-N-CA 126.182 1.793 . . . . 0.0 113.407 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -72.62 77.85 2.13 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.636 2.891 . . . . 0.0 109.147 173.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.9 tp -90.13 -29.67 18.15 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.814 1.246 . . . . 0.0 111.359 -172.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -39.86 -58.35 1.39 Allowed 'General case' 0 C--N 1.343 0.291 0 C-N-CA 125.958 1.703 . . . . 0.0 113.848 -172.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 45.9 p-90 -52.18 -44.99 64.94 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 122.847 0.459 . . . . 0.0 111.322 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.94 -49.84 66.49 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.54 1.536 . . . . 0.0 108.758 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.09 -56.48 17.62 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.222 1.009 . . . . 0.0 111.193 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -64.76 -46.93 80.08 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 122.427 0.291 . . . . 0.0 111.277 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.37 -53.19 60.56 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.334 0.653 . . . . 0.0 111.72 -175.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -88.45 -44.04 11.02 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 118.982 -0.532 . . . . 0.0 112.433 -170.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -106.39 -69.39 0.83 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.359 0.527 . . . . 0.0 111.819 -169.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -87.26 63.97 8.06 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.565 1.146 . . . . 0.0 109.581 -172.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.048 0 O-C-N 122.107 -0.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.016 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -133.18 75.49 71.01 Favored Pre-proline 0 CA--C 1.533 0.299 0 C-N-CA 124.241 1.016 . . . . 0.0 109.829 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -83.05 51.38 3.64 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 123.758 2.972 . . . . 0.0 110.489 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.0 -20.38 23.33 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.532 1.133 . . . . 0.0 111.01 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -56.86 -61.77 2.2 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.731 0.812 . . . . 0.0 111.006 -177.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 30.3 p-90 -60.33 -38.77 84.78 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.808 0.443 . . . . 0.0 111.008 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tt -68.62 -48.78 63.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.561 1.144 . . . . 0.0 109.808 -170.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.74 93.52 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.798 0.839 . . . . 0.0 111.036 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -58.07 -41.25 83.0 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.902 0.481 . . . . 0.0 111.179 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -68.12 -63.44 1.06 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.357 1.063 . . . . 0.0 110.859 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -95.83 -59.4 1.87 Allowed 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.585 0.754 . . . . 0.0 112.061 -169.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -83.61 63.46 7.41 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.467 0.707 . . . . 0.0 110.796 -169.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -140.68 -54.29 0.5 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.277 1.031 . . . . 0.0 109.524 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.017 0 O-C-N 122.253 -0.279 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.042 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -67.76 138.91 93.32 Favored Pre-proline 0 CA--C 1.537 0.473 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -68.49 103.05 0.9 Allowed 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.851 2.368 . . . . 0.0 110.335 176.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.2 mp -90.1 -1.69 57.99 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.456 1.102 . . . . 0.0 112.033 175.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -61.84 -61.62 2.37 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.253 0.933 . . . . 0.0 110.978 -176.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 51.6 p-90 -63.44 -36.65 84.44 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.488 0.715 . . . . 0.0 110.703 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.24 -50.3 70.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.676 1.19 . . . . 0.0 109.041 -175.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.08 -38.58 89.37 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.606 0.762 . . . . 0.0 112.014 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -59.1 -51.54 69.6 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.185 0.448 . . . . 0.0 110.936 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -73.02 -55.95 5.81 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -175.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -80.45 -63.58 1.38 Allowed 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.827 0.851 . . . . 0.0 111.559 -169.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -70.47 -43.5 69.67 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.608 0.363 . . . . 0.0 110.96 -169.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -99.05 172.56 7.32 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.15 1.38 . . . . 0.0 110.065 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.046 0 O-C-N 122.083 -0.386 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.051 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 -147.96 85.22 6.57 Favored Pre-proline 0 CA--C 1.532 0.285 0 C-N-CA 124.104 0.962 . . . . 0.0 108.768 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -82.34 53.27 4.44 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.508 2.806 . . . . 0.0 109.889 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.7 tp -91.19 -28.58 17.75 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.173 1.389 . . . . 0.0 110.43 170.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -49.89 -47.21 52.17 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 125.47 1.508 . . . . 0.0 113.228 -169.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -55.26 -44.65 75.8 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.891 0.477 . . . . 0.0 110.956 177.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.12 -35.22 76.17 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.429 1.492 . . . . 0.0 110.039 -178.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.17 -49.76 66.27 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 121.874 -0.516 . . . . 0.0 110.797 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -59.66 -72.31 0.11 Allowed 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 125.236 1.414 . . . . 0.0 112.498 -171.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -79.71 31.3 0.24 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -169.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -143.9 -56.48 0.38 Allowed 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.889 1.276 . . . . 0.0 109.223 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -106.53 -61.85 1.47 Allowed 'General case' 0 C--N 1.341 0.234 0 C-N-CA 123.921 0.888 . . . . 0.0 110.225 -171.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -83.71 68.0 9.71 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.423 1.089 . . . . 0.0 108.89 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.09 0 O-C-N 122.194 -0.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.007 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 52.71 70.33 1.91 Allowed Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 125.227 1.411 . . . . 0.0 111.599 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -80.08 66.13 8.83 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 123.783 2.988 . . . . 0.0 110.291 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.64 -29.8 17.53 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.602 1.161 . . . . 0.0 111.158 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -50.97 -62.1 1.82 Allowed 'General case' 0 C--N 1.341 0.238 0 C-N-CA 124.304 1.042 . . . . 0.0 112.928 -170.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 -50.84 -41.73 57.98 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.386 0.674 . . . . 0.0 111.517 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tt -66.01 -54.79 21.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.935 1.294 . . . . 0.0 108.993 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.49 -44.05 84.63 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.197 0.999 . . . . 0.0 112.026 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.06 -51.57 69.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.956 0.902 . . . . 0.0 111.216 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -66.88 -58.82 4.25 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.83 0.452 . . . . 0.0 111.352 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -80.14 -67.68 0.74 Allowed 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.594 0.758 . . . . 0.0 111.89 -169.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.0 m-30 -69.59 -40.17 76.86 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.018 0.527 . . . . 0.0 111.817 -168.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -100.81 32.49 3.13 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.727 1.211 . . . . 0.0 109.811 174.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.035 0 O-C-N 121.682 -0.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.044 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . 0.266 0.2 OUTLIER 14.09 74.2 0.12 Allowed Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 128.862 2.865 . . . . 0.0 114.795 . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -82.87 68.19 7.6 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 123.347 2.698 . . . . 0.0 110.617 -172.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -90.6 -48.94 6.77 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.372 1.069 . . . . 0.0 109.932 173.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -42.23 -57.15 2.64 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 126.223 1.809 . . . . 0.0 113.759 -169.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 41.1 p-90 -51.26 -44.13 61.69 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.444 0.566 . . . . 0.0 111.543 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 tt -69.4 -54.44 14.37 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.168 1.387 . . . . 0.0 108.526 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.427 ' HB1' ' H12' ' A' ' 17' ' ' LNK . . . -62.66 -43.75 98.02 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.287 1.435 . . . . 0.0 112.535 -170.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -54.99 -56.04 24.15 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 124.252 1.021 . . . . 0.0 110.536 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -64.65 -56.17 15.51 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.174 0.59 . . . . 0.0 111.705 -176.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -79.92 -61.32 2.03 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.649 0.78 . . . . 0.0 110.963 -170.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -69.84 -44.89 69.0 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -169.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -98.68 41.27 1.15 Allowed 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 169.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.007 0 O-C-N 121.508 -0.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . 0.427 ' H12' ' HB1' ' A' ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.039 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 53.49 64.79 6.38 Favored Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 125.338 1.455 . . . . 0.0 111.678 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -77.91 73.82 5.53 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 123.733 2.955 . . . . 0.0 110.536 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.9 tp -90.42 -25.51 20.34 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.01 1.324 . . . . 0.0 111.325 177.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -39.75 -61.38 0.84 Allowed 'General case' 0 C--N 1.344 0.333 0 C-N-CA 126.915 2.086 . . . . 0.0 113.184 -172.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 42.7 p-90 -55.78 -42.11 75.05 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.319 1.048 . . . . 0.0 111.624 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tt -66.13 -55.44 16.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.091 1.357 . . . . 0.0 108.504 -175.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.09 -40.5 70.49 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.012 0.925 . . . . 0.0 111.651 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.35 -64.12 1.0 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.88 0.872 . . . . 0.0 111.095 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -68.91 -43.81 74.45 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -169.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -79.95 -59.62 2.66 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-N 118.033 0.379 . . . . 0.0 111.467 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -87.26 -58.51 2.56 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 122.82 0.448 . . . . 0.0 111.543 -169.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -90.64 56.19 3.21 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.821 0.849 . . . . 0.0 110.07 -173.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.078 0 O-C-N 122.221 -0.3 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.005 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 54.61 69.16 2.21 Favored Pre-proline 0 CA--C 1.539 0.526 0 C-N-CA 124.794 1.238 . . . . 0.0 111.33 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -82.11 57.61 6.3 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.373 2.715 . . . . 0.0 109.512 176.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.78 -48.74 6.85 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.655 1.182 . . . . 0.0 110.942 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -49.46 -48.31 47.7 Favored 'General case' 0 C--N 1.341 0.214 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -169.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 38.2 p-90 -54.78 -36.01 64.42 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.258 0.936 . . . . 0.0 111.58 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tt -77.8 -53.32 7.64 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.403 1.481 . . . . 0.0 108.585 -178.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.81 -45.08 90.75 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.497 1.119 . . . . 0.0 112.422 -176.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.18 -22.16 64.84 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.096 0.558 . . . . 0.0 112.385 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -88.88 -54.0 4.34 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.695 0.798 . . . . 0.0 109.916 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -94.07 -65.27 1.0 Allowed 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.572 1.149 . . . . 0.0 111.253 -173.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -81.19 67.22 7.03 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.004 0.922 . . . . 0.0 111.984 -169.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -121.7 154.06 37.36 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.243 1.417 . . . . 0.0 108.863 172.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.066 0 O-C-N 122.243 -0.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.025 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -133.7 76.99 65.04 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 124.24 1.016 . . . . 0.0 109.179 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -76.65 77.66 3.59 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 123.791 2.994 . . . . 0.0 109.823 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.6 mt -90.4 17.49 7.23 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.124 0.97 . . . . 0.0 111.354 173.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -62.31 -54.06 46.1 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.65 0.659 . . . . 0.0 110.224 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -54.54 -41.14 69.37 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.016 0.927 . . . . 0.0 110.823 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.95 -49.83 68.79 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.447 1.499 . . . . 0.0 108.945 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.87 -47.09 84.82 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.186 0.994 . . . . 0.0 111.714 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -55.16 -36.66 66.07 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.541 0.737 . . . . 0.0 112.031 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -76.62 -64.08 1.2 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.028 0.531 . . . . 0.0 110.529 177.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -80.15 -67.19 0.79 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.981 0.913 . . . . 0.0 110.944 -172.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -83.33 59.66 5.16 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.526 1.13 . . . . 0.0 110.783 -170.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -155.36 -50.97 0.09 Allowed 'General case' 0 C--N 1.34 0.176 0 C-N-CA 123.727 0.811 . . . . 0.0 110.078 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.014 0 O-C-N 122.311 -0.243 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -71.92 121.54 84.84 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -80.91 63.94 8.84 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.587 2.858 . . . . 0.0 110.308 -176.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.1 tp -91.09 -33.45 15.47 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.21 1.404 . . . . 0.0 111.324 174.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -44.41 -53.18 7.11 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.497 1.919 . . . . 0.0 113.906 -169.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 42.1 p-90 -53.42 -46.38 69.74 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.235 0.614 . . . . 0.0 111.075 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.53 -54.27 38.74 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.434 1.494 . . . . 0.0 108.46 -178.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.96 -52.51 32.98 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.586 1.154 . . . . 0.0 111.636 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -60.86 -61.79 2.33 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.219 1.008 . . . . 0.0 111.681 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -61.92 -40.57 95.94 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.29 0.636 . . . . 0.0 111.85 -169.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -84.65 -49.51 8.47 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 122.821 0.449 . . . . 0.0 111.099 -174.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -109.49 -65.0 1.19 Allowed 'General case' 0 C--N 1.342 0.262 0 C-N-CA 123.113 0.565 . . . . 0.0 111.924 -169.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -84.3 67.19 9.72 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.535 1.134 . . . . 0.0 109.355 -172.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.067 0 CA-C-N 116.312 -0.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.025 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.23 66.93 3.81 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 125.538 1.535 . . . . 0.0 110.788 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -80.59 61.99 8.4 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 123.69 2.927 . . . . 0.0 110.131 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.71 -34.62 15.31 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.594 1.158 . . . . 0.0 110.856 176.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -50.78 -57.39 8.48 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.846 1.259 . . . . 0.0 113.152 -169.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 44.1 p-90 -55.59 -38.67 69.71 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.445 0.698 . . . . 0.0 111.711 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 tt -69.57 -54.18 15.34 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.722 1.209 . . . . 0.0 108.5 -175.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.75 -45.64 78.02 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.667 1.187 . . . . 0.0 111.587 177.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -46.43 -48.38 18.83 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.902 1.281 . . . . 0.0 111.339 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -84.64 -52.04 6.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.64 0.776 . . . . 0.0 111.995 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -79.76 -41.87 25.69 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -168.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -146.77 78.05 1.48 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.697 0.68 . . . . 0.0 111.084 -174.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -149.7 89.64 1.64 Allowed 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 170.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.062 0 O-C-N 122.139 -0.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.058 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -131.38 77.49 73.77 Favored Pre-proline 0 CA--C 1.532 0.274 0 C-N-CA 124.377 1.071 . . . . 0.0 109.066 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -79.16 67.41 8.6 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.479 2.786 . . . . 0.0 110.12 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.9 tp -90.77 -27.91 18.59 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.982 1.313 . . . . 0.0 111.342 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -47.79 -53.33 15.74 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 125.447 1.499 . . . . 0.0 113.762 -169.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 47.2 p-90 -55.55 -41.86 73.83 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.447 0.699 . . . . 0.0 111.255 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 tt -66.43 -53.79 31.62 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.497 1.519 . . . . 0.0 108.912 -175.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.33 -47.44 86.01 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.326 1.051 . . . . 0.0 111.766 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -53.73 -45.35 70.48 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.182 0.993 . . . . 0.0 110.958 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -72.41 -62.42 1.45 Allowed 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.683 0.393 . . . . 0.0 111.453 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -80.98 -59.92 2.49 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -168.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.4 m-30 -69.8 -46.34 65.92 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 122.628 0.371 . . . . 0.0 110.776 -169.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -83.69 -60.33 2.15 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.032 0.933 . . . . 0.0 109.328 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.005 0 O-C-N 122.244 -0.285 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.018 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -131.97 82.56 59.18 Favored Pre-proline 0 CA--C 1.534 0.343 0 C-N-CA 124.842 1.257 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -81.3 49.41 3.2 Favored 'Trans proline' 0 CA--C 1.537 0.637 0 C-N-CA 123.455 2.77 . . . . 0.0 111.079 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.9 -21.26 21.48 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.503 1.521 . . . . 0.0 109.423 169.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -62.25 -51.25 68.49 Favored 'General case' 0 C--N 1.342 0.256 0 C-N-CA 124.223 1.009 . . . . 0.0 111.892 -169.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 46.2 p-90 -60.65 -42.86 97.84 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.463 0.705 . . . . 0.0 110.032 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.22 -42.91 99.73 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.115 1.366 . . . . 0.0 109.33 -175.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.91 -58.06 7.91 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.203 1.001 . . . . 0.0 111.656 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -60.53 -33.33 72.49 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.373 0.533 . . . . 0.0 112.123 -176.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -71.08 -65.66 0.71 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.224 0.61 . . . . 0.0 110.798 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -87.94 -52.02 5.51 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.119 0.568 . . . . 0.0 112.117 -169.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -69.48 -37.93 77.47 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -171.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.85 40.3 1.6 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.782 0.833 . . . . 0.0 109.193 169.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.059 0 O-C-N 121.736 -0.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.038 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 51.48 62.75 10.59 Favored Pre-proline 0 CA--C 1.536 0.439 0 C-N-CA 125.256 1.422 . . . . 0.0 112.146 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -82.14 54.89 5.18 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 123.657 2.905 . . . . 0.0 110.672 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 mp -90.34 24.68 2.48 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.785 0.834 . . . . 0.0 110.67 177.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -68.49 -58.07 4.86 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.682 0.793 . . . . 0.0 109.015 -177.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -57.56 -37.21 72.74 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.514 1.125 . . . . 0.0 110.858 174.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.77 -51.06 62.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.936 0.895 . . . . 0.0 108.832 -174.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.46 -46.73 85.99 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.44 0.696 . . . . 0.0 111.586 175.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -55.47 -53.56 54.75 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.701 0.8 . . . . 0.0 111.032 177.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.57 -57.97 8.45 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.264 1.426 . . . . 0.0 111.162 -175.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -80.72 -66.87 0.83 Allowed 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.192 0.597 . . . . 0.0 111.598 -169.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -77.51 -52.02 9.75 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.866 0.466 . . . . 0.0 111.951 -168.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -96.91 47.83 1.05 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.32 1.048 . . . . 0.0 110.319 -174.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.02 0 O-C-N 122.056 -0.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.049 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -131.14 76.99 75.57 Favored Pre-proline 0 CA--C 1.534 0.352 0 C-N-CA 124.581 1.153 . . . . 0.0 109.402 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -81.26 59.19 7.27 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 123.859 3.039 . . . . 0.0 110.474 -178.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.87 -45.75 8.6 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 124.492 1.117 . . . . 0.0 110.667 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -56.42 -35.22 67.56 Favored 'General case' 0 C--N 1.34 0.193 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -169.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 39.0 p-90 -61.35 -43.01 99.59 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.035 1.289 . . . . 0.0 110.121 176.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.45 -50.56 51.65 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 125.204 1.402 . . . . 0.0 108.415 -177.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.6 -49.79 75.25 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.391 0.677 . . . . 0.0 111.458 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -58.25 -49.44 77.11 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.762 0.825 . . . . 0.0 110.727 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -64.28 -57.25 9.97 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.612 0.765 . . . . 0.0 111.687 -177.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -87.12 -61.43 1.73 Allowed 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.753 0.821 . . . . 0.0 111.798 -170.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -72.54 -47.27 49.7 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.21 0.604 . . . . 0.0 112.272 -168.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -81.82 63.24 5.99 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.262 0.625 . . . . 0.0 109.663 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.085 0 O-C-N 122.011 -0.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.02 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 54.81 66.76 3.76 Favored Pre-proline 0 CA--C 1.537 0.453 0 C-N-CA 125.032 1.333 . . . . 0.0 111.441 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -76.78 72.96 5.51 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 123.691 2.927 . . . . 0.0 109.132 174.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.8 mt -83.31 8.58 13.09 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.908 0.883 . . . . 0.0 112.104 -178.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.7 mm100 -66.15 -61.37 2.06 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 119.241 0.928 . . . . 0.0 111.05 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 48.6 p-90 -57.88 -39.08 76.98 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 122.872 0.469 . . . . 0.0 110.279 177.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.91 -50.19 67.49 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.67 1.588 . . . . 0.0 109.683 -174.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.33 -45.37 80.5 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.702 0.801 . . . . 0.0 111.013 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -55.22 -44.72 75.67 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.214 0.606 . . . . 0.0 110.408 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.9 -58.97 3.68 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.801 0.84 . . . . 0.0 111.545 -176.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -90.09 -59.04 2.3 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 122.795 0.438 . . . . 0.0 111.831 -169.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -69.61 -37.86 77.03 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 122.819 0.448 . . . . 0.0 110.428 -169.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -106.34 32.98 4.08 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.373 1.069 . . . . 0.0 109.856 169.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.009 0 O-C-N 121.527 -0.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.025 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -119.99 80.32 26.2 Favored Pre-proline 0 CA--C 1.535 0.372 0 C-N-CA 124.962 1.305 . . . . 0.0 108.985 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -80.07 71.19 7.18 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 123.079 2.519 . . . . 0.0 109.692 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 81.6 mt -90.32 -1.32 57.91 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.874 0.869 . . . . 0.0 112.336 -178.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -65.36 -63.07 1.19 Allowed 'General case' 0 C--N 1.341 0.207 0 CA-C-N 119.348 0.976 . . . . 0.0 111.194 -173.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -55.21 -40.13 70.46 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.723 0.809 . . . . 0.0 111.106 176.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 tt -62.44 -48.97 77.33 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 126.372 1.869 . . . . 0.0 109.639 -175.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.27 -42.62 88.21 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.114 0.966 . . . . 0.0 111.154 173.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -57.18 -52.95 63.26 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.761 0.824 . . . . 0.0 111.203 -172.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -67.31 -38.43 84.96 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -101.82 -81.47 0.49 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.089 0.556 . . . . 0.0 111.681 -174.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -93.51 65.73 3.78 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.03 0.932 . . . . 0.0 110.486 -169.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -156.94 -59.73 0.09 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.056 1.342 . . . . 0.0 108.29 171.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.012 0 O-C-N 122.23 -0.294 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.01 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -61.99 -58.96 14.67 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-O 117.997 -1.001 . . . . 0.0 111.905 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -74.89 78.6 2.82 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.589 2.193 . . . . 0.0 110.051 177.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.58 -37.79 13.59 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.281 1.432 . . . . 0.0 110.587 -178.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -43.78 -60.62 1.73 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.813 1.645 . . . . 0.0 114.081 -169.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 45.3 p-90 -57.03 -39.76 75.44 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.197 0.999 . . . . 0.0 111.478 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.35 -53.87 41.9 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.906 1.282 . . . . 0.0 108.274 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.15 -41.66 79.59 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.195 0.598 . . . . 0.0 112.011 175.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -57.88 -53.19 61.03 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.357 0.663 . . . . 0.0 111.658 -178.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -80.8 -46.61 15.1 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -176.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -79.69 -65.21 1.03 Allowed 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.462 0.574 . . . . 0.0 111.719 -173.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -71.29 -48.82 48.37 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 122.932 0.493 . . . . 0.0 111.669 -168.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -79.55 -56.99 3.91 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 175.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.08 0 O-C-N 122.284 -0.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.016 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -132.34 80.89 62.16 Favored Pre-proline 0 CA--C 1.534 0.331 0 C-N-CA 124.51 1.124 . . . . 0.0 108.894 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -81.0 59.72 7.58 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.797 2.998 . . . . 0.0 110.39 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 pp -90.27 23.61 2.84 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.022 0.929 . . . . 0.0 111.545 172.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -53.91 -39.82 66.14 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 124.149 0.98 . . . . 0.0 110.57 174.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 39.8 p-90 -56.56 -41.68 77.29 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 122.766 0.426 . . . . 0.0 110.908 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 tt -73.61 -54.82 7.28 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.142 1.377 . . . . 0.0 108.568 -176.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.46 -52.51 65.09 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.531 1.132 . . . . 0.0 111.24 -175.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -88.28 22.37 2.5 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -174.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -100.28 -53.81 3.03 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 168.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -95.85 -53.34 3.73 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.152 0.981 . . . . 0.0 110.805 -176.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.2 31.45 0.89 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.855 0.862 . . . . 0.0 111.349 -171.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -82.54 70.03 9.42 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.223 0.609 . . . . 0.0 110.257 -173.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.053 0 O-C-N 122.013 -0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LNK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_