data_1fct_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 1fct _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 ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.291 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 55.5 ttm -48.05 -37.14 14.32 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 125.625 1.57 . . . . 0.0 110.663 172.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.22 -42.07 90.13 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.918 -0.488 . . . . 0.0 110.965 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -78.15 -42.75 30.74 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.64 1.176 . . . . 0.0 109.343 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -47.0 -52.46 14.7 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 170.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.9 m -67.84 -46.36 72.02 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.377 0.671 . . . . 0.0 111.503 -175.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.74 -47.24 77.28 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 118.604 0.638 . . . . 0.0 109.297 176.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -61.36 -53.87 51.08 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.66 -21.01 37.54 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.394 1.078 . . . . 0.0 112.06 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.66 -57.12 3.83 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 118.646 0.657 . . . . 0.0 110.671 166.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.0 mmt-85 -65.19 -14.47 60.7 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 118.056 -0.974 . . . . 0.0 113.593 -170.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -47.54 -43.39 9.06 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-N 119.898 1.226 . . . . 0.0 111.032 163.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.19 -24.12 5.82 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 124.567 1.08 . . . . 0.0 112.343 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.311 0 C-N-CA 127.255 2.222 . . . . 0.0 110.482 -172.206 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.226 0 CA-C-O 122.558 1.17 . . . . 0.0 112.186 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 10.1 tmm? -56.62 -52.98 62.8 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 112.996 -1.911 . . . . 0.0 109.01 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.05 77.73 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.199 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 42.6 tpp -57.14 -52.07 66.76 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 121.075 0.464 . . . . 0.0 110.285 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.41 -45.27 55.56 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 123.782 0.833 . . . . 0.0 110.388 177.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.8 m -64.45 -48.47 75.16 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 122.974 0.509 . . . . 0.0 109.943 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -52.01 -44.2 64.02 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.354 1.062 . . . . 0.0 109.99 176.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -67.7 -50.28 58.35 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -34.1 64.25 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.867 0.867 . . . . 0.0 111.291 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.54 -60.49 2.68 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 170.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -60.18 -28.37 67.89 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 118.086 -0.959 . . . . 0.0 113.443 -172.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -33.47 -49.35 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 126.619 1.968 . . . . 0.0 113.409 -173.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.19 38.56 1.46 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 167.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.221 0 C-N-CA 126.14 1.776 . . . . 0.0 110.345 -171.004 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -58.04 -35.05 70.74 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 169.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.97 -46.72 84.69 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.85 0.86 . . . . 0.0 109.848 174.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -61.49 -55.43 31.24 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.52 -54.53 31.46 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 122.343 -0.223 . . . . 0.0 111.018 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.3 p -59.56 -60.05 4.46 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 122.758 0.423 . . . . 0.0 110.815 -176.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.67 -44.1 69.4 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -177.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.33 -55.68 22.64 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -177.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.52 -31.96 66.57 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.011 0.525 . . . . 0.0 111.506 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.09 -56.32 8.05 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.162 0.437 . . . . 0.0 110.479 171.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -74.59 -24.93 58.96 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.611 -0.709 . . . . 0.0 112.452 -164.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.9 m -56.45 117.35 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 119.861 1.209 . . . . 0.0 108.881 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 54.85 15.5 6.54 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.512 1.053 . . . . 0.0 113.765 -173.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.313 0 C-N-CA 125.485 1.514 . . . . 0.0 110.853 -166.717 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.289 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.3 mmt -44.08 -43.3 6.78 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 126.19 1.796 . . . . 0.0 111.137 171.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.7 98.33 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 122.125 -0.359 . . . . 0.0 110.831 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -69.73 -46.77 65.18 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 -51.4 -49.55 61.37 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.152 0.581 . . . . 0.0 109.865 173.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 71.0 m -60.63 -51.79 67.91 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.097 0.559 . . . . 0.0 109.9 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.9 -39.89 93.56 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -175.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -62.5 -52.96 61.4 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.06 -39.94 69.76 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.788 0.435 . . . . 0.0 110.564 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.15 -54.08 44.58 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.9 mmt-85 -62.07 -47.56 84.1 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 118.458 0.572 . . . . 0.0 111.603 176.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.77 -42.01 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 118.375 0.534 . . . . 0.0 110.177 -169.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.48 -26.88 31.61 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-O 119.781 -0.455 . . . . 0.0 112.003 173.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.299 0 C-N-CA 125.778 1.631 . . . . 0.0 109.036 -164.074 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 113.923 1.082 . . . . 0.0 113.923 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.5 mtt -61.8 -46.12 90.93 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 167.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.22 -48.89 75.57 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.8 ttp -59.39 -57.64 12.09 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.506 0.722 . . . . 0.0 110.266 -177.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -46.0 92.34 Favored 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.894 -175.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 65.2 m -52.78 -59.45 4.48 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.946 0.498 . . . . 0.0 110.997 175.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 t -62.93 -39.98 96.25 Favored 'General case' 0 C--N 1.339 0.11 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -173.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -61.48 -54.13 47.33 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.26 -47.49 75.39 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.278 0.631 . . . . 0.0 110.387 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.69 -55.34 30.81 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -55.37 -47.48 75.73 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.015 0.37 . . . . 0.0 110.965 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.8 t -56.33 -49.32 77.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.042 0.537 . . . . 0.0 110.732 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.21 -41.71 99.57 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 174.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.213 0 C-N-CA 124.669 1.188 . . . . 0.0 110.399 -170.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.272 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -43.6 70.37 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 124.433 1.093 . . . . 0.0 108.833 164.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.46 -48.27 82.29 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.708 0.403 . . . . 0.0 110.173 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 16.3 tpt -60.63 -49.8 76.07 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.981 0.513 . . . . 0.0 109.797 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 56.1 ttt85 -51.74 -51.69 54.25 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.898 0.479 . . . . 0.0 109.941 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.9 m -59.9 -52.04 67.11 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.184 0.594 . . . . 0.0 110.548 -177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -42.81 99.46 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -59.39 -47.78 84.12 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 122.022 -0.424 . . . . 0.0 109.901 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.91 -48.06 83.24 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.562 0.345 . . . . 0.0 110.943 176.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.24 83.84 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.514 0.725 . . . . 0.0 111.442 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 68.7 mtp85 -74.39 -71.48 0.34 Allowed 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 125.245 1.418 . . . . 0.0 110.463 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 p 32.49 -108.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 125.843 1.657 . . . . 0.0 109.462 -152.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.9 54.67 3.44 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-N 120.267 1.394 . . . . 0.0 111.071 172.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.321 0 C-N-CA 128.593 2.757 . . . . 0.0 113.497 -167.419 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.207 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.0 tpt -51.95 -37.05 51.42 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 123.703 0.801 . . . . 0.0 109.734 167.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.29 -48.9 73.39 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.35 0.26 . . . . 0.0 110.513 174.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.3 mmt -66.39 -46.12 77.71 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.8 mtp85 -53.09 -46.87 68.84 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 175.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.4 m -64.91 -48.77 72.98 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.082 0.553 . . . . 0.0 110.421 -178.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -44.5 90.27 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -62.47 -48.73 78.33 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 122.954 0.501 . . . . 0.0 109.935 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.83 -42.9 68.97 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.859 0.464 . . . . 0.0 110.308 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.65 -46.4 90.45 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 119.298 -0.382 . . . . 0.0 110.608 175.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.4 mmt-85 -55.43 -52.36 63.84 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 118.768 0.713 . . . . 0.0 110.2 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.8 t -55.31 -47.24 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.37 -27.8 18.1 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 123.862 0.744 . . . . 0.0 112.729 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.226 0 C-N-CA 124.028 0.931 . . . . 0.0 112.153 -177.12 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.277 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.7 mtp -48.84 -45.65 41.02 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 125.17 1.388 . . . . 0.0 109.779 163.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.26 -48.81 79.71 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.607 0.363 . . . . 0.0 110.278 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -48.19 82.81 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.282 0.633 . . . . 0.0 109.593 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -53.86 -53.35 53.79 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 122.846 0.458 . . . . 0.0 109.934 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.1 m -57.07 -52.88 63.5 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.367 -177.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.94 -41.62 99.55 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -177.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -62.2 -40.43 96.06 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.86 92.24 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.871 0.759 . . . . 0.0 110.81 174.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.1 99.39 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.898 -0.501 . . . . 0.0 110.842 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -60.42 -70.56 0.17 Allowed 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.111 0.564 . . . . 0.0 109.592 169.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.7 m 31.13 -121.77 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 125.067 1.347 . . . . 0.0 109.085 -144.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.37 49.03 2.93 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-N 120.619 1.554 . . . . 0.0 111.768 173.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.303 0 C-N-CA 127.413 2.285 . . . . 0.0 111.811 -168.478 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.591 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 60.9 ttm -50.6 -37.13 38.35 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 174.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.4 93.85 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.994 0.917 . . . . 0.0 110.663 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.5 tmm? -65.29 -52.67 52.62 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -54.18 -52.8 60.03 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 119.687 -0.197 . . . . 0.0 111.449 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.2 p -60.6 -57.88 10.82 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 122.8 0.44 . . . . 0.0 110.596 -176.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.93 -45.64 78.72 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -177.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -58.77 -53.41 58.72 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 121.962 -0.461 . . . . 0.0 110.077 -178.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.14 -43.72 74.45 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.674 0.39 . . . . 0.0 110.939 177.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.78 -53.9 52.93 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 122.168 -0.332 . . . . 0.0 110.358 176.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -60.24 -42.41 95.2 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 124.69 1.196 . . . . 0.0 111.468 -177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.2 t -48.05 -55.52 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 123.768 0.827 . . . . 0.0 110.243 176.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.24 -26.11 64.66 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 176.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.25 0 C-N-CA 126.438 1.895 . . . . 0.0 109.268 -160.023 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 121.25 0.547 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.3 ttt -53.88 -29.97 43.94 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 168.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.2 85.83 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.155 0.582 . . . . 0.0 110.473 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -61.5 -53.72 52.66 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 83.2 mmt-85 -51.98 -47.18 64.99 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.514 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.8 m -60.72 -55.25 35.46 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.223 0.609 . . . . 0.0 111.076 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.79 -44.49 96.76 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -176.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -54.7 -55.48 29.29 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.771 0.828 . . . . 0.0 109.43 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.72 -37.88 74.33 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.064 0.546 . . . . 0.0 111.777 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -27.98 65.19 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 118.978 -0.534 . . . . 0.0 112.04 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -98.79 -54.5 2.99 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 118.547 0.612 . . . . 0.0 111.847 -176.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.6 t -66.14 154.11 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.49 -56.8 2.48 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -173.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.41 0 C-N-CA 126.155 1.782 . . . . 0.0 111.747 -174.482 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 121.542 0.686 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 61.6 ttp -52.18 -34.15 43.9 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 163.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.61 -54.75 42.89 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.804 0.441 . . . . 0.0 109.98 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 42.6 tpp -60.7 -49.92 75.57 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.986 0.514 . . . . 0.0 109.629 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -54.64 -47.35 73.61 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.592 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.9 m -63.44 -49.39 73.87 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.642 0.377 . . . . 0.0 110.75 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.62 -42.68 97.34 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 -178.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -61.42 -48.62 80.38 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.776 -0.578 . . . . 0.0 109.989 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.0 -43.1 69.77 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 122.266 -0.271 . . . . 0.0 110.389 175.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.75 -49.2 78.46 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.845 -0.598 . . . . 0.0 110.678 175.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? -52.95 -46.88 68.36 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 119.305 0.957 . . . . 0.0 110.416 176.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.2 t -60.7 -51.69 70.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 122.636 0.374 . . . . 0.0 110.318 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.57 -36.78 65.31 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 176.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.246 0 C-N-CA 124.664 1.185 . . . . 0.0 110.467 -178.194 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.694 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -46.9 -30.42 2.52 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.446 166.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.53 -46.93 83.75 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 122.992 0.517 . . . . 0.0 110.193 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 37.2 ttm -63.11 -47.14 84.09 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -56.37 -45.12 80.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.803 177.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -58.86 -54.11 50.79 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.554 0.742 . . . . 0.0 109.715 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.89 -48.66 80.8 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -52.79 -52.02 58.43 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.892 1.277 . . . . 0.0 109.934 -173.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.75 -33.27 55.2 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.676 0.79 . . . . 0.0 112.504 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.79 -48.35 14.98 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.95 0.881 . . . . 0.0 109.649 173.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -59.7 -28.71 67.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.509 1.923 . . . . 0.0 112.2 -172.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.9 m -34.23 -46.6 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 125.79 1.636 . . . . 0.0 113.159 -178.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.32 36.01 1.77 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 109.915 -1.274 . . . . 0.0 109.915 168.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.244 0 C-N-CA 125.633 1.573 . . . . 0.0 110.469 -172.804 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.32 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.8 tmm? -39.59 -47.93 2.0 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 127.463 2.305 . . . . 0.0 112.487 -175.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.81 -45.77 74.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.552 0.341 . . . . 0.0 111.23 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.8 ttt -69.15 -44.25 72.69 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.037 0.535 . . . . 0.0 109.606 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.3 mmp_? -51.46 -49.19 62.23 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.6 m -63.6 -52.19 62.01 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.798 0.839 . . . . 0.0 110.72 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.28 -44.65 84.19 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -178.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -60.97 -51.4 69.42 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 122.076 -0.39 . . . . 0.0 110.147 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.87 -26.91 64.69 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.037 0.935 . . . . 0.0 111.922 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.86 -62.44 1.54 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.277 0.489 . . . . 0.0 110.185 169.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.8 mtt-85 -57.85 -39.87 78.74 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 124.809 1.244 . . . . 0.0 112.348 -169.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.9 p -51.86 -44.05 36.47 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 C-N-CA 123.331 0.653 . . . . 0.0 110.66 -177.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.88 -36.17 10.56 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.453 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.308 0 C-N-CA 125.027 1.331 . . . . 0.0 109.153 -169.636 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.371 0 CA-C-O 120.888 0.375 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 83.2 mtp -56.44 -35.92 68.41 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.843 0.857 . . . . 0.0 108.725 170.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.35 -53.97 46.72 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.933 174.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 10.4 ttt -59.76 -45.66 91.57 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 123.112 0.565 . . . . 0.0 109.73 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -59.81 -40.3 87.91 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.3 m -66.83 -49.3 66.18 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -44.06 -52.85 6.83 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 124.116 0.966 . . . . 0.0 109.852 166.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -62.62 -50.18 72.26 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.855 0.862 . . . . 0.0 109.593 -172.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.6 -50.0 66.57 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.061 0.544 . . . . 0.0 110.363 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.93 -50.83 72.03 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 178.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -48.99 71.43 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.724 1.209 . . . . 0.0 109.636 -179.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.0 t -60.21 -50.79 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 123.542 0.737 . . . . 0.0 110.401 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.17 -36.19 67.51 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 175.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.244 0 C-N-CA 124.48 1.112 . . . . 0.0 110.006 -178.5 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.478 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -41.21 72.65 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 168.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.63 -49.28 73.27 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.953 0.501 . . . . 0.0 110.247 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 45.9 ttp -59.8 -49.87 76.04 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.506 0.722 . . . . 0.0 109.697 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -59.35 -37.46 77.91 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.955 -0.466 . . . . 0.0 112.037 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.9 m -65.02 -48.12 75.02 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -47.48 -51.09 21.55 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.906 0.883 . . . . 0.0 109.349 170.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -62.73 -52.03 64.83 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -173.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.5 -50.71 62.24 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.019 0.527 . . . . 0.0 110.676 176.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.65 -49.48 76.33 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.394 0.278 . . . . 0.0 110.829 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -63.73 -43.58 96.1 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.058 0.543 . . . . 0.0 111.273 -177.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.3 t -57.92 -46.47 87.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 173.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.96 48.33 2.01 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 118.408 0.549 . . . . 0.0 111.99 173.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 C-N-CA 128.014 2.526 . . . . 0.0 104.944 -174.134 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.238 0 CA-C-O 122.415 1.102 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.6 ttp -51.13 -53.27 35.98 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 113.068 -1.878 . . . . 0.0 109.889 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.15 -52.11 65.54 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.966 0.506 . . . . 0.0 110.36 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.9 mtt -61.7 -45.04 95.7 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 122.765 0.426 . . . . 0.0 110.555 -178.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -58.64 -40.88 84.66 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.938 -0.477 . . . . 0.0 111.281 175.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.9 m -64.56 -48.61 74.38 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.81 -49.77 37.39 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 124.194 0.998 . . . . 0.0 109.19 171.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -62.63 -51.06 68.76 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.68 0.792 . . . . 0.0 109.519 -174.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.48 -52.26 60.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.977 0.511 . . . . 0.0 110.405 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.39 -53.99 51.01 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.96 0.409 . . . . 0.0 110.792 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -53.35 -51.9 60.95 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.919 1.688 . . . . 0.0 109.666 -177.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.9 t -59.12 -56.25 18.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 O-C-N 121.719 -0.613 . . . . 0.0 109.795 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.33 -33.35 16.01 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 123.464 0.554 . . . . 0.0 112.063 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.156 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -174.523 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 122.59 1.186 . . . . 0.0 112.228 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -52.29 -52.36 53.32 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 112.945 -1.934 . . . . 0.0 109.915 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.38 -43.32 99.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 122.597 0.359 . . . . 0.0 110.324 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 32.1 ttm -57.77 -52.98 63.24 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -58.32 -42.52 86.95 Favored 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 121.941 -0.475 . . . . 0.0 110.702 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.8 m -58.33 -54.45 46.83 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.008 0.367 . . . . 0.0 110.752 177.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.19 -38.11 89.86 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -176.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -62.78 -52.56 62.73 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.39 -48.47 71.53 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 121.824 -0.548 . . . . 0.0 110.017 175.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.93 -53.51 40.29 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.532 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -34.19 69.66 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 122.974 0.51 . . . . 0.0 111.25 -175.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 t -52.71 -56.78 5.93 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 C-N-CA 123.913 0.885 . . . . 0.0 108.753 175.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.17 -27.44 68.31 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 176.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.234 0 C-N-CA 125.591 1.556 . . . . 0.0 107.847 -157.213 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.2 tpt -63.98 -43.36 95.96 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 167.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.38 -48.88 75.95 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.728 0.411 . . . . 0.0 110.0 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.7 ttt -59.58 -54.02 51.33 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.516 0.726 . . . . 0.0 110.057 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -54.63 -48.88 71.71 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.367 -0.208 . . . . 0.0 110.467 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.8 m -59.57 -52.35 65.93 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.871 0.468 . . . . 0.0 110.964 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.61 -47.28 86.91 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -177.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -54.95 -50.77 68.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.339 0.655 . . . . 0.0 110.331 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.18 -39.7 69.87 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.653 0.781 . . . . 0.0 111.028 176.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.03 -37.68 81.66 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 117.969 0.349 . . . . 0.0 111.377 175.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -66.3 -52.98 41.91 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 118.837 0.744 . . . . 0.0 109.953 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.3 m -56.37 131.49 19.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -173.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.27 -34.35 4.01 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-O 119.599 -0.556 . . . . 0.0 111.868 -173.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.197 0 CA-C-N 118.677 1.239 . . . . 0.0 111.619 177.692 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.276 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.2 ptm -51.84 -37.9 53.78 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 124.023 0.929 . . . . 0.0 110.047 167.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.13 87.62 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.207 -0.308 . . . . 0.0 110.29 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 91.3 mmm -63.42 -45.5 90.67 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -56.74 -46.67 81.23 Favored 'General case' 0 C--N 1.333 -0.142 0 O-C-N 121.926 -0.484 . . . . 0.0 110.43 177.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.8 m -59.78 -50.14 74.98 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.85 0.46 . . . . 0.0 110.378 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.94 -37.95 89.07 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -60.92 -49.13 78.71 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.84 81.94 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.833 0.453 . . . . 0.0 110.068 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.92 -51.8 68.13 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.259 0.224 . . . . 0.0 110.526 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.6 mtp-105 -51.51 -51.09 58.07 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.89 0.476 . . . . 0.0 110.494 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.8 t -58.95 -48.0 87.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 C-N-CA 122.597 0.359 . . . . 0.0 110.804 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.76 -37.7 70.12 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 174.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.281 0 C-N-CA 123.58 0.752 . . . . 0.0 110.068 -176.889 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.3 tpt -59.91 -32.34 70.67 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 169.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.17 -49.18 72.52 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.679 0.392 . . . . 0.0 110.173 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.5 tpt -62.76 -52.64 62.44 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -51.91 -49.35 63.23 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.1 m -62.01 -53.44 55.57 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.396 0.678 . . . . 0.0 111.005 -178.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.35 -42.15 98.22 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -176.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -62.36 -53.02 61.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 123.084 0.554 . . . . 0.0 109.774 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.3 -48.39 71.36 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.031 0.533 . . . . 0.0 110.458 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.07 -52.72 63.25 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -46.85 78.29 Favored 'General case' 0 C--O 1.228 -0.074 0 C-N-CA 122.534 0.333 . . . . 0.0 111.238 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.1 t -58.81 -48.63 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 122.854 0.462 . . . . 0.0 110.317 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.14 -38.38 85.57 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 174.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.22 0 C-N-CA 124.551 1.14 . . . . 0.0 109.979 -176.574 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.204 0 CA-C-O 122.299 1.047 . . . . 0.0 112.708 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.8 tpt -61.1 -48.26 82.47 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 113.436 -1.711 . . . . 0.0 109.849 178.43 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.79 -46.09 89.63 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -56.01 -55.94 26.76 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.29 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -49.03 -55.58 11.6 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 123.736 0.814 . . . . 0.0 109.928 177.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.9 m -58.52 -51.61 69.13 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.019 0.528 . . . . 0.0 111.355 -176.405 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.12 -41.57 94.76 Favored 'General case' 0 CA--C 1.527 0.076 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -175.838 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -61.81 -50.37 72.58 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.37 -50.22 72.17 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.154 0.582 . . . . 0.0 109.985 177.136 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.7 -48.23 69.75 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.475 0.31 . . . . 0.0 110.567 177.03 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -59.89 -50.23 74.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.853 179.116 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.7 t -52.01 -49.86 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 118.983 0.811 . . . . 0.0 108.934 175.266 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.03 1.77 1.23 Allowed Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.519 1.057 . . . . 0.0 114.794 176.694 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.44 0 CA-C-N 118.971 1.385 . . . . 0.0 108.828 170.99 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.723 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 70.1 mtm -49.79 -27.31 4.8 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.298 0.639 . . . . 0.0 110.568 170.176 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.21 93.93 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.428 0.691 . . . . 0.0 110.682 175.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 27.3 ttt -65.1 -52.25 56.57 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.976 0.91 . . . . 0.0 109.116 -179.403 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -49.39 -53.89 20.18 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 173.066 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.5 m -58.42 -52.68 64.6 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.926 0.491 . . . . 0.0 111.376 -176.684 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.35 -47.84 84.01 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -177.453 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -56.24 -51.06 69.48 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -178.582 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.32 -43.36 74.84 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.932 0.893 . . . . 0.0 111.14 176.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.83 -40.51 96.78 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.709 -0.62 . . . . 0.0 111.16 176.422 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -69.89 -47.02 64.17 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.097 0.559 . . . . 0.0 111.29 -175.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.1 m -59.25 128.2 19.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 118.743 0.701 . . . . 0.0 110.103 -175.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.52 5.16 90.03 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 123.786 0.708 . . . . 0.0 112.83 -174.837 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.228 0 C-N-CA 124.989 1.316 . . . . 0.0 112.061 172.826 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.7 ttt -74.92 73.96 2.15 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 105.072 -2.195 . . . . 0.0 105.072 175.005 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -36.26 87.92 0.0 OUTLIER 'General case' 0 C--N 1.339 0.115 0 C-N-CA 125.228 1.411 . . . . 0.0 112.205 -134.174 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.7 tpt -39.22 -52.31 1.95 Allowed 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 127.972 2.509 . . . . 0.0 112.749 -168.139 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -55.31 -48.93 73.39 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.014 0.435 . . . . 0.0 111.055 178.455 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 t -64.92 -52.61 55.45 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.925 1.29 . . . . 0.0 108.856 -178.645 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -40.88 -54.69 2.65 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.647 1.979 . . . . 0.0 109.961 169.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -63.83 -54.25 37.97 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -175.271 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.4 -35.58 63.02 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 122.893 0.477 . . . . 0.0 111.947 179.017 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.67 -45.02 63.23 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 122.034 -0.416 . . . . 0.0 111.165 175.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.6 mmm-85 -82.61 -24.26 33.97 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -170.704 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.2 m -57.59 146.61 6.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 120.189 1.359 . . . . 0.0 108.714 170.734 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.91 -61.84 2.92 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 -168.283 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.592 0 C-N-CA 125.315 1.446 . . . . 0.0 112.147 178.866 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 121.402 0.62 . . . . 0.0 109.658 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.9 ttt -55.32 -27.51 47.48 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.651 169.041 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.83 -47.61 82.15 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.622 0.369 . . . . 0.0 110.198 174.254 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 54.5 ttp -64.49 -49.31 71.85 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -179.568 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.7 mtm105 -54.26 -47.98 71.68 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 178.179 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.2 m -62.21 -51.96 65.7 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.122 0.569 . . . . 0.0 110.612 -178.679 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.98 -43.33 95.2 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -178.797 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -58.59 -54.66 44.53 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -179.093 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.29 -49.11 70.38 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 122.662 0.385 . . . . 0.0 110.75 177.215 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.54 -52.92 43.1 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.524 0.73 . . . . 0.0 110.316 179.454 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.4 mtt-85 -68.81 -39.97 79.77 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.524 1.129 . . . . 0.0 111.512 -177.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 t -50.67 -54.97 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 123.718 0.807 . . . . 0.0 109.406 174.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.12 -25.37 71.31 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.597 176.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.263 0 C-N-CA 125.552 1.541 . . . . 0.0 108.081 -155.707 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.548 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 59.8 ttm -50.31 -30.39 11.89 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.557 166.347 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.82 79.14 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.893 0.477 . . . . 0.0 110.325 176.755 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.7 tpt -62.88 -48.3 79.58 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.555 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -53.03 -48.95 67.21 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 109.969 178.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.1 m -60.27 -52.91 63.28 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.149 0.58 . . . . 0.0 111.106 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -42.47 96.43 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.484 0.659 . . . . 0.0 109.304 -176.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -61.65 -50.92 70.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.163 0.985 . . . . 0.0 109.555 -179.438 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.6 -49.81 69.56 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.473 0.709 . . . . 0.0 110.469 176.06 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.0 -49.77 74.77 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.55 0.34 . . . . 0.0 110.453 179.124 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -57.04 -52.14 66.46 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.645 0.378 . . . . 0.0 110.686 178.732 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.8 t -55.94 -41.25 66.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 118.086 0.403 . . . . 0.0 110.091 177.058 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.15 -22.15 57.64 Favored Glycine 0 CA--C 1.531 1.062 0 CA-C-O 118.969 -0.906 . . . . 0.0 113.288 176.327 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.403 0 CA-C-N 118.908 1.354 . . . . 0.0 111.082 -172.676 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.432 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -39.89 -46.19 1.97 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.989 2.116 . . . . 0.0 111.819 177.694 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.71 -44.84 63.35 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.641 0.776 . . . . 0.0 111.831 179.725 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 60.9 ttp -65.17 -50.9 64.18 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -177.059 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -55.54 -48.29 74.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.367 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.2 m -60.23 -54.07 50.19 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.437 0.695 . . . . 0.0 111.268 179.502 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.29 -42.18 98.21 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -176.472 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -61.23 -53.18 60.11 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.76 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.92 -47.44 74.4 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.142 0.577 . . . . 0.0 110.555 178.461 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.85 -50.91 71.02 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 176.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -59.53 -43.76 93.38 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 122.046 -0.409 . . . . 0.0 111.47 -179.379 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.4 t -56.42 -51.77 60.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 118.377 0.535 . . . . 0.0 109.619 174.176 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.85 -37.77 29.1 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 173.848 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.299 0 C-N-CA 124.802 1.241 . . . . 0.0 110.141 178.613 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.356 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -58.86 -44.97 91.15 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 160.45 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.33 -48.14 81.48 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.683 0.393 . . . . 0.0 110.076 177.937 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -57.37 -57.49 12.41 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.411 0.684 . . . . 0.0 109.373 178.724 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -52.21 -49.35 64.11 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.24 0.216 . . . . 0.0 110.63 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.1 m -59.08 -54.57 45.56 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.739 0.416 . . . . 0.0 111.278 -179.658 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.42 -46.5 89.85 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 -176.438 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -56.35 -50.18 72.24 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.81 0.844 . . . . 0.0 110.347 -179.481 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.87 -47.38 74.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.819 0.448 . . . . 0.0 110.246 176.01 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.93 -42.36 89.55 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 122.245 -0.284 . . . . 0.0 110.948 176.847 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 mmt85 -61.8 -51.67 67.33 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 -179.274 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.7 t -53.35 -42.3 47.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 174.808 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.03 -19.33 10.93 Favored Glycine 0 CA--C 1.533 1.215 0 CA-C-O 118.563 -1.131 . . . . 0.0 114.604 175.409 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.212 0 CA-C-N 119.361 1.58 . . . . 0.0 110.569 177.353 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.02 -24.63 55.08 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -173.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 55.5 ttm -48.05 -37.14 14.32 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 125.625 1.57 . . . . 0.0 110.663 172.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.22 -42.07 90.13 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.918 -0.488 . . . . 0.0 110.965 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -78.15 -42.75 30.74 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.64 1.176 . . . . 0.0 109.343 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -47.0 -52.46 14.7 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 170.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.9 m -67.84 -46.36 72.02 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.377 0.671 . . . . 0.0 111.503 -175.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.74 -47.24 77.28 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 118.604 0.638 . . . . 0.0 109.297 176.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -61.36 -53.87 51.08 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.66 -21.01 37.54 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.394 1.078 . . . . 0.0 112.06 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.66 -57.12 3.83 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 118.646 0.657 . . . . 0.0 110.671 166.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.0 mmt-85 -65.19 -14.47 60.7 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 118.056 -0.974 . . . . 0.0 113.593 -170.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -47.54 -43.39 9.06 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-N 119.898 1.226 . . . . 0.0 111.032 163.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.19 -24.12 5.82 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 124.567 1.08 . . . . 0.0 112.343 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 75.55 -58.81 0.55 Allowed 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 127.255 2.222 . . . . 0.0 110.482 -172.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -21.18 -59.85 0.07 OUTLIER Pre-proline 0 C--N 1.32 -0.689 0 C-N-CA 129.754 3.222 . . . . 0.0 114.992 171.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -37.43 -43.22 1.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.904 1 C-N-CA 125.928 4.418 . . . . 0.0 116.368 172.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.98 12.76 29.29 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 125.709 1.603 . . . . 0.0 113.86 -174.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.6 m -143.65 -44.04 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.62 -48.14 6.75 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 127.286 2.234 . . . . 0.0 108.192 176.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.14 -66.66 2.58 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 108.717 -1.753 . . . . 0.0 108.717 172.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.25 59.34 0.76 Allowed 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.932 -0.746 . . . . 0.0 110.232 169.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.534 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 10.0 tpt180 -74.79 -75.77 0.1 OUTLIER Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 164.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 27.9 Cg_endo -79.98 -147.8 0.03 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.492 1 C-N-CA 125.304 4.003 . . . . 0.0 107.201 156.178 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.84 12.07 9.91 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.192 -0.942 . . . . 0.0 113.24 -171.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 p -77.2 67.75 3.21 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.152 -0.967 . . . . 0.0 111.352 -173.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -139.33 -126.4 0.12 Allowed 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 168.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 52.0 ttm -151.04 -99.8 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 125.114 1.366 . . . . 0.0 108.311 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.9 m -157.31 162.07 39.14 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 174.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.6 p -176.24 171.52 2.46 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 118.025 0.375 . . . . 0.0 109.99 -166.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 27.4 ttt -71.39 -42.15 68.75 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 124.045 0.841 . . . . 0.0 109.228 167.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 C-N-CA 125.895 1.678 . . . . 0.0 106.604 175.647 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.1 -47.9 79.92 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 122.558 1.17 . . . . 0.0 112.186 -172.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 10.1 tmm? -56.62 -52.98 62.8 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 112.996 -1.911 . . . . 0.0 109.01 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.05 77.73 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.199 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 42.6 tpp -57.14 -52.07 66.76 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 121.075 0.464 . . . . 0.0 110.285 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.41 -45.27 55.56 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 123.782 0.833 . . . . 0.0 110.388 177.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.8 m -64.45 -48.47 75.16 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 122.974 0.509 . . . . 0.0 109.943 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -52.01 -44.2 64.02 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.354 1.062 . . . . 0.0 109.99 176.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -67.7 -50.28 58.35 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -34.1 64.25 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.867 0.867 . . . . 0.0 111.291 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.54 -60.49 2.68 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 170.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -60.18 -28.37 67.89 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 118.086 -0.959 . . . . 0.0 113.443 -172.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -33.47 -49.35 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 126.619 1.968 . . . . 0.0 113.409 -173.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.19 38.56 1.46 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 167.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 43.12 47.42 5.25 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 126.14 1.776 . . . . 0.0 110.345 -171.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' CB ' ' HD3' ' A' ' 17' ' ' PRO . 1.4 mmmm -34.46 -58.23 0.66 Allowed Pre-proline 0 CA--C 1.537 0.444 0 C-N-CA 126.906 2.082 . . . . 0.0 114.677 -173.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.414 ' HD3' ' CB ' ' A' ' 16' ' ' LYS . 46.7 Cg_exo -37.76 -51.33 1.83 Allowed 'Trans proline' 0 N--CA 1.452 -0.954 1 C-N-CA 125.588 4.192 . . . . 0.0 114.736 172.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.13 -15.18 61.98 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.467 -1.697 . . . . 0.0 113.313 -176.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.3 t -80.56 -15.53 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 124.902 1.281 . . . . 0.0 111.486 172.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -97.59 -41.83 7.96 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 125.153 1.381 . . . . 0.0 108.804 173.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.1 -58.85 9.71 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 168.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.58 73.93 2.59 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.829 -0.807 . . . . 0.0 109.303 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.553 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -54.64 -72.52 0.2 Allowed Pre-proline 0 CA--C 1.537 0.475 0 C-N-CA 123.622 0.769 . . . . 0.0 109.54 172.378 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.553 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 61.9 Cg_endo -78.57 -173.41 1.84 Allowed 'Trans proline' 0 N--CA 1.436 -1.867 1 C-N-CA 126.515 4.81 . . . . 0.0 108.449 167.285 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 44.53 40.91 4.29 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.891 1.677 . . . . 0.0 110.575 -171.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -71.73 91.66 1.14 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.287 1.435 . . . . 0.0 111.449 -164.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.75 -122.75 0.09 Allowed 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 170.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 32.0 ttp -70.76 -75.32 0.12 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 153.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.8 p -92.74 -112.29 0.1 Allowed 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 161.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.7 t -136.57 153.97 50.83 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 125.517 1.527 . . . . 0.0 107.096 162.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.0 tpt 67.67 -46.72 0.5 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.522 2.329 . . . . 0.0 110.886 -169.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 158.214 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.472 0.669 0 N-CA-C 105.956 -1.868 . . . . 0.0 105.956 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.97 152.4 45.58 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 120.852 1.66 . . . . 0.0 108.67 170.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -58.04 -35.05 70.74 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 169.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.97 -46.72 84.69 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.85 0.86 . . . . 0.0 109.848 174.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -61.49 -55.43 31.24 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.52 -54.53 31.46 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 122.343 -0.223 . . . . 0.0 111.018 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.3 p -59.56 -60.05 4.46 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 122.758 0.423 . . . . 0.0 110.815 -176.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.67 -44.1 69.4 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -177.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.33 -55.68 22.64 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -177.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.52 -31.96 66.57 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.011 0.525 . . . . 0.0 111.506 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.09 -56.32 8.05 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.162 0.437 . . . . 0.0 110.479 171.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -74.59 -24.93 58.96 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.611 -0.709 . . . . 0.0 112.452 -164.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.9 m -56.45 117.35 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 119.861 1.209 . . . . 0.0 108.881 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 54.85 15.5 6.54 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.512 1.053 . . . . 0.0 113.765 -173.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 42.04 46.59 3.67 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.485 1.514 . . . . 0.0 110.853 -166.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.466 ' CB ' ' HD3' ' A' ' 17' ' ' PRO . 34.6 mtpt -22.21 -65.03 0.06 OUTLIER Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 126.799 2.04 . . . . 0.0 115.473 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 16' ' ' LYS . 35.0 Cg_exo -33.97 -47.05 0.48 Allowed 'Trans proline' 0 N--CA 1.455 -0.791 1 C-N-CA 127.012 5.141 . . . . 0.0 116.292 174.115 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.89 18.95 19.29 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 126.669 1.988 . . . . 0.0 112.962 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.0 m -135.83 -41.93 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-O 122.398 1.094 . . . . 0.0 112.065 170.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 53.12 -119.44 1.51 Allowed 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 126.662 1.985 . . . . 0.0 109.345 -177.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.86 37.29 3.89 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 172.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.72 179.53 6.42 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.936 1.694 . . . . 0.0 108.222 -173.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.539 ' CB ' ' CD ' ' A' ' 24' ' ' PRO 0.265 3.0 tpm_? -90.67 -83.63 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.612 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 170.606 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 38.8 Cg_endo -76.32 117.87 4.75 Favored 'Trans proline' 0 N--CA 1.439 -1.723 0 C-N-CA 124.563 3.509 . . . . 0.0 112.385 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 75.99 173.31 0.24 Allowed 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 128.112 2.565 . . . . 0.0 114.163 153.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.1 m -72.52 63.17 0.57 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.815 1.646 . . . . 0.0 112.186 -177.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -86.79 -125.62 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 161.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.3 tpt -150.64 -73.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 165.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.7 t 63.35 -162.91 0.27 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.802 1.641 . . . . 0.0 111.702 171.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.5 t -159.93 -49.91 0.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 127.245 2.218 . . . . 0.0 108.109 178.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.8 ttm -66.98 -60.13 2.9 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.247 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.286 0 CA-C-O 117.995 -1.003 . . . . 0.0 108.986 -172.605 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.5 -29.39 50.22 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -173.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.3 mmt -44.08 -43.3 6.78 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 126.19 1.796 . . . . 0.0 111.137 171.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.7 98.33 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 122.125 -0.359 . . . . 0.0 110.831 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -69.73 -46.77 65.18 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 -51.4 -49.55 61.37 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.152 0.581 . . . . 0.0 109.865 173.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 71.0 m -60.63 -51.79 67.91 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.097 0.559 . . . . 0.0 109.9 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.9 -39.89 93.56 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -175.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -62.5 -52.96 61.4 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.06 -39.94 69.76 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.788 0.435 . . . . 0.0 110.564 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.15 -54.08 44.58 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.9 mmt-85 -62.07 -47.56 84.1 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 118.458 0.572 . . . . 0.0 111.603 176.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.77 -42.01 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 118.375 0.534 . . . . 0.0 110.177 -169.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.48 -26.88 31.61 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-O 119.781 -0.455 . . . . 0.0 112.003 173.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 51.73 40.0 26.58 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.778 1.631 . . . . 0.0 109.036 -164.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' CB ' ' HD3' ' A' ' 17' ' ' PRO . 25.0 mmtt -155.12 -77.03 0.01 OUTLIER Pre-proline 0 CA--C 1.538 0.5 0 C-N-CA 125.644 1.577 . . . . 0.0 114.327 -167.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HD3' ' CB ' ' A' ' 16' ' ' LYS . 14.8 Cg_endo -57.2 -63.44 0.16 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 124.809 3.673 . . . . 0.0 111.409 -156.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.26 13.23 6.7 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 112.055 -2.338 . . . . 0.0 112.24 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.9 t -92.02 -52.9 9.46 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-O 122.903 1.335 . . . . 0.0 108.817 168.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -74.55 -55.29 6.09 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 112.908 -1.951 . . . . 0.0 109.098 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.91 -70.82 1.16 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -175.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.74 55.35 2.98 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 121.995 -0.709 . . . . 0.0 110.909 -172.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.543 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.0 OUTLIER -70.34 -71.45 0.27 Allowed Pre-proline 0 N--CA 1.452 -0.348 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 164.448 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.543 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 44.2 Cg_endo -76.59 -134.35 0.01 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.939 1 C-N-CA 125.705 4.27 . . . . 0.0 107.941 162.254 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 69.44 -62.96 0.4 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 127.227 2.211 . . . . 0.0 111.975 169.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.1 m -145.56 21.39 1.5 Allowed 'General case' 0 C--N 1.332 -0.184 0 O-C-N 121.719 -0.613 . . . . 0.0 111.83 170.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -137.48 -140.83 0.15 Allowed 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 162.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -163.68 -50.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 128.936 2.894 . . . . 0.0 105.889 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 m -174.71 171.63 3.17 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 131.177 3.791 . . . . 0.0 105.004 160.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.2 t -136.38 -59.02 0.74 Allowed 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 123.66 0.784 . . . . 0.0 109.104 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.4 mtp -145.48 -58.16 0.33 Allowed 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 104.721 -2.325 . . . . 0.0 104.721 163.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.437 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.035 145.816 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.6 mmm . . . . . 0 N--CA 1.473 0.686 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.17 19.08 0.1 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.923 1.082 . . . . 0.0 113.923 -171.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.5 mtt -61.8 -46.12 90.93 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 167.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.22 -48.89 75.57 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.8 ttp -59.39 -57.64 12.09 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.506 0.722 . . . . 0.0 110.266 -177.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -46.0 92.34 Favored 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.894 -175.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 65.2 m -52.78 -59.45 4.48 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.946 0.498 . . . . 0.0 110.997 175.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 t -62.93 -39.98 96.25 Favored 'General case' 0 C--N 1.339 0.11 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -173.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -61.48 -54.13 47.33 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.26 -47.49 75.39 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.278 0.631 . . . . 0.0 110.387 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.69 -55.34 30.81 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -55.37 -47.48 75.73 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.015 0.37 . . . . 0.0 110.965 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.8 t -56.33 -49.32 77.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.042 0.537 . . . . 0.0 110.732 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.21 -41.71 99.57 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 174.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.02 58.78 4.9 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.669 1.188 . . . . 0.0 110.399 -170.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' CB ' ' HD3' ' A' ' 17' ' ' PRO . 27.3 tptp -149.09 -61.44 0.02 OUTLIER Pre-proline 0 N--CA 1.451 -0.407 0 C-N-CA 126.725 2.01 . . . . 0.0 107.702 167.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HD3' ' CB ' ' A' ' 16' ' ' LYS . 82.5 Cg_exo -40.22 -59.52 0.71 Allowed 'Trans proline' 0 N--CA 1.449 -1.098 1 C-N-CA 126.128 4.552 . . . . 0.0 112.114 158.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.46 40.78 0.37 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 113.888 -1.505 . . . . 0.0 111.3 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.3 t -148.03 -54.37 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 C-N-CA 125.73 1.612 . . . . 0.0 108.101 174.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 70.62 -53.55 0.66 Allowed 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 129.941 3.296 . . . . 0.0 111.263 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.3 59.02 0.5 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 106.456 -2.658 . . . . 0.0 106.456 -162.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.41 60.18 1.54 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.812 1.245 . . . . 0.0 112.219 -165.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.542 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 9.7 tpp85 -87.94 -82.74 0.03 OUTLIER Pre-proline 0 CA--C 1.539 0.538 0 C-N-CA 124.099 0.96 . . . . 0.0 108.482 170.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.542 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 21.3 Cg_endo -65.51 113.48 2.51 Favored 'Trans proline' 0 N--CA 1.436 -1.868 0 C-N-CA 124.608 3.539 . . . . 0.0 109.904 177.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -168.27 167.52 12.08 Favored 'General case' 0 C--N 1.314 -0.961 0 C-N-CA 129.154 2.981 . . . . 0.0 106.912 -177.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -71.68 69.68 0.66 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.082 0.953 . . . . 0.0 112.347 -172.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -72.33 -50.43 26.88 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-O 122.97 1.367 . . . . 0.0 109.18 170.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.9 ptm -112.27 -97.15 0.43 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 103.947 -2.612 . . . . 0.0 103.947 151.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.2 t -81.08 -147.57 0.06 Allowed 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 138.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.9 p -68.07 179.6 1.48 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 154.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -146.62 -55.89 0.26 Allowed 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 175.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 C-N-CA 126.835 2.054 . . . . 0.0 105.459 172.748 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.1 -2.69 5.91 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -169.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -43.6 70.37 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 124.433 1.093 . . . . 0.0 108.833 164.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.46 -48.27 82.29 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.708 0.403 . . . . 0.0 110.173 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 16.3 tpt -60.63 -49.8 76.07 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.981 0.513 . . . . 0.0 109.797 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 56.1 ttt85 -51.74 -51.69 54.25 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.898 0.479 . . . . 0.0 109.941 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.9 m -59.9 -52.04 67.11 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.184 0.594 . . . . 0.0 110.548 -177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -42.81 99.46 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -59.39 -47.78 84.12 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 122.022 -0.424 . . . . 0.0 109.901 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.91 -48.06 83.24 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.562 0.345 . . . . 0.0 110.943 176.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.24 83.84 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.514 0.725 . . . . 0.0 111.442 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 68.7 mtp85 -74.39 -71.48 0.34 Allowed 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 125.245 1.418 . . . . 0.0 110.463 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 p 32.49 -108.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 125.843 1.657 . . . . 0.0 109.462 -152.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.9 54.67 3.44 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-N 120.267 1.394 . . . . 0.0 111.071 172.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 18.95 64.41 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 128.593 2.757 . . . . 0.0 113.497 -167.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.455 ' CB ' ' HD3' ' A' ' 17' ' ' PRO 0.295 39.7 ttmt -133.24 -78.31 0.01 OUTLIER Pre-proline 0 CA--C 1.542 0.657 0 CA-C-O 118.028 -0.987 . . . . 0.0 113.56 -171.089 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.455 ' HD3' ' CB ' ' A' ' 16' ' ' LYS . 11.3 Cg_exo -28.68 -66.49 0.06 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.772 1 C-N-CA 128.016 5.811 . . . . 0.0 116.385 -169.837 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.72 49.95 1.11 Allowed 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.23 -1.35 . . . . 0.0 109.603 175.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 77.3 t -127.03 -54.94 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 C-N-CA 125.511 1.525 . . . . 0.0 108.881 167.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -28.74 -66.88 0.08 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 129.532 3.133 . . . . 0.0 111.513 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.05 24.23 16.93 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 123.966 0.794 . . . . 0.0 112.464 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.67 75.73 2.66 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 117.908 0.854 . . . . 0.0 111.014 -172.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.578 ' CB ' ' CD ' ' A' ' 24' ' ' PRO 0.263 0.0 OUTLIER -133.22 -83.28 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.42 0 C-N-CA 123.884 0.873 . . . . 0.0 108.805 165.449 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.578 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 27.5 Cg_endo -81.9 -173.53 1.8 Allowed 'Trans proline' 0 N--CA 1.438 -1.743 1 C-N-CA 126.335 4.69 . . . . 0.0 109.643 173.811 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.89 41.85 3.19 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 126.569 1.947 . . . . 0.0 107.933 170.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.5 p -174.99 85.75 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.1 0.96 . . . . 0.0 109.088 -167.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.12 -124.76 0.24 Allowed 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 165.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.7 ptp -57.77 -46.03 85.11 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 123.272 0.629 . . . . 0.0 110.088 174.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.9 p -121.82 -167.83 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 124.98 1.312 . . . . 0.0 109.217 167.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 44.2 t -69.08 -57.58 5.23 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.587 0.708 . . . . 0.0 109.726 172.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 58.4 ttm -76.54 -57.85 3.62 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.638 -174.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 116.753 -1.594 . . . . 0.0 107.337 176.404 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.5 ptt? . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 118.817 -0.611 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.44 -9.06 22.28 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -169.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.0 tpt -51.95 -37.05 51.42 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 123.703 0.801 . . . . 0.0 109.734 167.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.29 -48.9 73.39 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.35 0.26 . . . . 0.0 110.513 174.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.3 mmt -66.39 -46.12 77.71 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.8 mtp85 -53.09 -46.87 68.84 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 175.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.4 m -64.91 -48.77 72.98 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.082 0.553 . . . . 0.0 110.421 -178.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -44.5 90.27 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -62.47 -48.73 78.33 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 122.954 0.501 . . . . 0.0 109.935 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.83 -42.9 68.97 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.859 0.464 . . . . 0.0 110.308 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.65 -46.4 90.45 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 119.298 -0.382 . . . . 0.0 110.608 175.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.4 mmt-85 -55.43 -52.36 63.84 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 118.768 0.713 . . . . 0.0 110.2 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.8 t -55.31 -47.24 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.37 -27.8 18.1 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 123.862 0.744 . . . . 0.0 112.729 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.29 24.19 13.23 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.028 0.931 . . . . 0.0 112.153 -177.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.505 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 32.0 mmtm -96.82 -88.19 0.0 OUTLIER Pre-proline 0 CA--C 1.543 0.704 0 CA-C-O 118.774 -0.631 . . . . 0.0 111.918 177.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 16' ' ' LYS . 35.9 Cg_endo -58.87 126.93 22.57 Favored 'Trans proline' 0 N--CA 1.438 -1.759 1 C-N-CA 126.365 4.71 . . . . 0.0 109.116 -175.087 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 59.11 22.02 10.08 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 128.055 2.542 . . . . 0.0 112.647 -175.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.2 t -129.73 -115.16 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 176.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.3 -43.24 53.49 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.266 1.027 . . . . 0.0 108.823 176.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -37.06 -47.68 1.37 Allowed Glycine 0 CA--C 1.528 0.863 0 C-N-CA 125.783 1.659 . . . . 0.0 112.818 171.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.68 55.07 1.93 Allowed 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.373 1.069 . . . . 0.0 112.063 -174.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.544 ' CB ' ' CD ' ' A' ' 24' ' ' PRO 0.263 2.5 tpm_? -114.87 -82.71 0.0 OUTLIER Pre-proline 0 N--CA 1.451 -0.385 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 165.041 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 42.7 Cg_endo -75.3 -152.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.321 1 C-N-CA 125.71 4.273 . . . . 0.0 108.343 169.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.65 -20.16 66.19 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -169.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 p -75.61 43.0 0.24 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.033 1.333 . . . . 0.0 113.913 -164.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.9 mtt85 -64.46 -48.62 74.58 Favored 'General case' 0 CA--C 1.519 -0.241 0 O-C-N 121.031 -1.043 . . . . 0.0 111.453 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.9 tpt 63.52 -68.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 129.088 2.955 . . . . 0.0 108.542 -169.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.6 m 71.97 161.94 0.25 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 126.973 2.109 . . . . 0.0 112.262 175.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 48.9 t -134.14 -43.79 0.79 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 127.493 2.317 . . . . 0.0 109.765 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 28.1 ttt -147.14 -59.09 0.27 Allowed 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 125.471 1.509 . . . . 0.0 106.978 176.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.417 0 N-CA-C 106.34 -1.726 . . . . 0.0 106.34 142.165 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.03 -6.62 9.12 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -176.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.7 mtp -48.84 -45.65 41.02 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 125.17 1.388 . . . . 0.0 109.779 163.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.26 -48.81 79.71 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.607 0.363 . . . . 0.0 110.278 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -48.19 82.81 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.282 0.633 . . . . 0.0 109.593 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -53.86 -53.35 53.79 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 122.846 0.458 . . . . 0.0 109.934 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.1 m -57.07 -52.88 63.5 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.367 -177.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.94 -41.62 99.55 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -177.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -62.2 -40.43 96.06 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.86 92.24 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.871 0.759 . . . . 0.0 110.81 174.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.1 99.39 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.898 -0.501 . . . . 0.0 110.842 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -60.42 -70.56 0.17 Allowed 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.111 0.564 . . . . 0.0 109.592 169.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.7 m 31.13 -121.77 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 125.067 1.347 . . . . 0.0 109.085 -144.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.37 49.03 2.93 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-N 120.619 1.554 . . . . 0.0 111.768 173.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 34.84 73.88 0.07 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 127.413 2.285 . . . . 0.0 111.811 -168.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.438 ' CB ' ' HD3' ' A' ' 17' ' ' PRO 0.269 57.0 mttm -120.74 -71.09 0.02 OUTLIER Pre-proline 0 CA--C 1.544 0.717 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -179.258 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HD3' ' CB ' ' A' ' 16' ' ' LYS . 32.8 Cg_exo -46.39 -53.83 5.5 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 124.84 3.693 . . . . 0.0 112.008 177.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.49 26.38 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 126.033 1.733 . . . . 0.0 113.13 175.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.5 t -137.01 -58.74 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 C-N-CA 125.493 1.517 . . . . 0.0 108.428 174.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 47.3 mtm105 -53.28 -43.62 67.61 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 113.253 -1.794 . . . . 0.0 110.043 173.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.67 22.52 35.22 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 118.98 -0.9 . . . . 0.0 112.447 175.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -158.88 44.21 0.27 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.053 1.426 . . . . 0.0 110.989 -176.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.541 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.9 tpm_? -155.03 -73.12 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 171.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 16.1 Cg_endo -77.39 -154.52 0.05 OUTLIER 'Trans proline' 0 N--CA 1.438 -1.784 0 C-N-CA 124.79 3.66 . . . . 0.0 105.992 146.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.97 96.62 2.99 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 123.676 0.79 . . . . 0.0 109.163 175.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 m -18.99 116.15 0.02 OUTLIER 'General case' 0 C--O 1.231 0.117 0 C-N-CA 126.776 2.03 . . . . 0.0 113.916 168.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 85.28 -55.03 0.09 Allowed 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 125.99 1.716 . . . . 0.0 110.731 166.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.3 tpt -56.82 -69.61 0.15 Allowed 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 127.487 2.315 . . . . 0.0 109.782 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.3 p -70.0 -49.45 51.38 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 122.814 1.292 . . . . 0.0 111.423 -176.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.9 p 176.44 -172.36 0.09 Allowed 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 128.838 2.855 . . . . 0.0 108.052 -166.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 36.3 ttm 56.94 -134.43 1.25 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.551 1.14 . . . . 0.0 109.103 176.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.201 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 -178.861 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.6 mmt . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.72 133.95 51.23 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 165.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 60.9 ttm -50.6 -37.13 38.35 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 174.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.4 93.85 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.994 0.917 . . . . 0.0 110.663 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.5 tmm? -65.29 -52.67 52.62 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -54.18 -52.8 60.03 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 119.687 -0.197 . . . . 0.0 111.449 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.2 p -60.6 -57.88 10.82 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 122.8 0.44 . . . . 0.0 110.596 -176.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.93 -45.64 78.72 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -177.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -58.77 -53.41 58.72 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 121.962 -0.461 . . . . 0.0 110.077 -178.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.14 -43.72 74.45 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.674 0.39 . . . . 0.0 110.939 177.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.78 -53.9 52.93 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 122.168 -0.332 . . . . 0.0 110.358 176.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -60.24 -42.41 95.2 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 124.69 1.196 . . . . 0.0 111.468 -177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.2 t -48.05 -55.52 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 123.768 0.827 . . . . 0.0 110.243 176.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.24 -26.11 64.66 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 176.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 49.59 37.51 12.71 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 126.438 1.895 . . . . 0.0 109.268 -160.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -141.21 -58.24 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -163.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -39.59 -64.49 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 1 C-N-CA 125.868 4.378 . . . . 0.0 113.723 -175.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.84 17.77 2.23 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 113.172 -1.831 . . . . 0.0 112.445 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.9 t -102.68 -50.46 9.74 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 C-N-CA 124.563 1.145 . . . . 0.0 108.323 167.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.6 mtt85 -54.02 -63.11 1.26 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 113.493 -1.685 . . . . 0.0 108.375 168.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.69 57.95 1.11 Allowed Glycine 0 C--N 1.336 0.549 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.91 7.06 22.39 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.571 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -68.68 -76.23 0.11 Allowed Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 124.199 0.999 . . . . 0.0 111.33 179.694 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 85.1 Cg_endo -72.25 -171.17 0.66 Allowed 'Trans proline' 0 N--CA 1.439 -1.697 1 C-N-CA 126.38 4.72 . . . . 0.0 110.112 176.487 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.33 49.05 1.36 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 113.894 -1.503 . . . . 0.0 111.803 -164.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.7 m -72.97 57.92 0.46 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.941 1.296 . . . . 0.0 110.263 177.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.5 mtt85 -155.78 -51.16 0.08 Allowed 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 127.446 2.298 . . . . 0.0 108.518 -164.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.9 tpt -69.55 -76.87 0.09 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 112.36 -2.2 . . . . 0.0 105.676 153.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.5 t -173.09 154.91 2.88 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.672 1.189 . . . . 0.0 108.135 156.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 38.5 t -170.66 -80.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 125.736 1.614 . . . . 0.0 109.45 167.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 57.0 tpp -71.26 -38.78 71.86 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 177.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.303 0 N-CA-C 103.29 -2.855 . . . . 0.0 103.29 156.491 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.92 54.25 1.84 Allowed 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.597 1.159 . . . . 0.0 110.243 -175.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.3 ttt -53.88 -29.97 43.94 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 168.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.2 85.83 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.155 0.582 . . . . 0.0 110.473 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -61.5 -53.72 52.66 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 83.2 mmt-85 -51.98 -47.18 64.99 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.514 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.8 m -60.72 -55.25 35.46 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.223 0.609 . . . . 0.0 111.076 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.79 -44.49 96.76 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -176.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -54.7 -55.48 29.29 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.771 0.828 . . . . 0.0 109.43 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.72 -37.88 74.33 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.064 0.546 . . . . 0.0 111.777 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -27.98 65.19 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 118.978 -0.534 . . . . 0.0 112.04 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -98.79 -54.5 2.99 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 118.547 0.612 . . . . 0.0 111.847 -176.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.6 t -66.14 154.11 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.49 -56.8 2.48 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -173.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.27 52.48 0.76 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.155 1.782 . . . . 0.0 111.747 -174.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -170.29 -64.35 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.365 0 C-N-CA 128.44 2.696 . . . . 0.0 106.169 -177.764 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' CD ' ' CB ' ' A' ' 16' ' ' LYS . 69.5 Cg_exo -36.08 -56.97 0.59 Allowed 'Trans proline' 0 N--CA 1.45 -1.039 1 C-N-CA 126.092 4.528 . . . . 0.0 113.766 162.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.1 7.2 19.5 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 113.655 -1.611 . . . . 0.0 113.266 -176.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.9 t -116.02 5.8 7.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 125.759 1.624 . . . . 0.0 110.689 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -53.18 142.9 19.41 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 121.873 0.844 . . . . 0.0 111.037 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.09 -27.65 8.1 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-N 114.084 -1.417 . . . . 0.0 112.003 -168.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 76.47 144.69 0.08 Allowed 'General case' 0 C--N 1.342 0.264 0 C-N-CA 126.654 1.982 . . . . 0.0 109.816 -173.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.572 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -157.14 -72.19 0.02 OUTLIER Pre-proline 0 N--CA 1.454 -0.254 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 -177.27 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.572 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 10.9 Cg_endo -80.87 -164.67 0.29 Allowed 'Trans proline' 0 N--CA 1.431 -2.152 1 C-N-CA 125.472 4.115 . . . . 0.0 106.881 147.214 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.68 132.71 24.4 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 126.882 2.073 . . . . 0.0 106.607 168.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 m -76.37 43.75 0.32 Allowed 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -163.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -42.44 81.74 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-O 122.454 1.121 . . . . 0.0 109.8 165.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.02 -63.24 0.08 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 112.704 -2.044 . . . . 0.0 109.475 174.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 m -168.08 171.02 9.9 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 127.288 2.235 . . . . 0.0 107.145 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 p 51.15 -168.03 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.604 1.562 . . . . 0.0 110.813 -168.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.7 ptt? -139.55 134.62 32.43 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 165.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.429 0 C-N-CA 127.585 2.354 . . . . 0.0 105.391 -174.848 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 mmt . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.19 61.02 3.88 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.564 1.146 . . . . 0.0 110.13 -173.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 61.6 ttp -52.18 -34.15 43.9 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 163.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.61 -54.75 42.89 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.804 0.441 . . . . 0.0 109.98 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 42.6 tpp -60.7 -49.92 75.57 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.986 0.514 . . . . 0.0 109.629 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -54.64 -47.35 73.61 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.592 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.9 m -63.44 -49.39 73.87 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.642 0.377 . . . . 0.0 110.75 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.62 -42.68 97.34 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 -178.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -61.42 -48.62 80.38 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.776 -0.578 . . . . 0.0 109.989 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.0 -43.1 69.77 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 122.266 -0.271 . . . . 0.0 110.389 175.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.75 -49.2 78.46 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.845 -0.598 . . . . 0.0 110.678 175.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? -52.95 -46.88 68.36 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 119.305 0.957 . . . . 0.0 110.416 176.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.2 t -60.7 -51.69 70.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 122.636 0.374 . . . . 0.0 110.318 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.57 -36.78 65.31 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 176.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.52 51.38 1.24 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.664 1.185 . . . . 0.0 110.467 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -136.44 -65.39 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.628 0 C-N-CA 126.794 2.038 . . . . 0.0 106.863 171.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_exo -41.01 -52.79 3.22 Favored 'Trans proline' 0 N--CA 1.451 -0.974 1 C-N-CA 126.338 4.692 . . . . 0.0 112.839 159.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.07 24.21 0.96 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 113.504 -1.68 . . . . 0.0 112.119 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.0 t -119.24 -59.06 2.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 C-N-CA 125.103 1.361 . . . . 0.0 107.848 165.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? 64.11 -68.06 0.1 Allowed 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 129.521 3.128 . . . . 0.0 110.05 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -150.78 17.7 0.96 Allowed Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.23 0.919 . . . . 0.0 112.19 174.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.69 164.69 24.38 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 117.713 0.756 . . . . 0.0 109.986 175.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.553 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 3.4 tpm_? -67.58 -71.2 0.34 Allowed Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.553 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 40.1 Cg_endo -80.47 -144.71 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.261 1 C-N-CA 126.142 4.562 . . . . 0.0 107.829 166.825 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.46 165.04 12.72 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.471 -0.768 . . . . 0.0 110.296 170.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 m -71.0 62.78 0.3 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.029 1.332 . . . . 0.0 111.185 176.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.1 ptt-85 -61.49 -39.56 91.4 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 124.984 1.314 . . . . 0.0 112.692 -176.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 17.9 ttm 178.83 -61.65 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 129.48 3.112 . . . . 0.0 106.682 -172.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.0 m 73.1 163.19 0.27 Allowed 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 127.544 2.338 . . . . 0.0 111.598 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 38.7 t -146.88 -79.39 0.16 Allowed 'General case' 0 C--O 1.227 -0.088 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.22 174.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -67.79 -42.52 81.52 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 166.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.325 0 C-N-CA 128.421 2.689 . . . . 0.0 103.939 171.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.4 mmm . . . . . 0 N--CA 1.472 0.662 0 N-CA-C 107.807 -1.182 . . . . 0.0 107.807 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.71 78.0 2.67 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -46.9 -30.42 2.52 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.446 166.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.53 -46.93 83.75 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 122.992 0.517 . . . . 0.0 110.193 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 37.2 ttm -63.11 -47.14 84.09 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -56.37 -45.12 80.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.803 177.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -58.86 -54.11 50.79 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.554 0.742 . . . . 0.0 109.715 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.89 -48.66 80.8 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -52.79 -52.02 58.43 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.892 1.277 . . . . 0.0 109.934 -173.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.75 -33.27 55.2 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.676 0.79 . . . . 0.0 112.504 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.79 -48.35 14.98 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.95 0.881 . . . . 0.0 109.649 173.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -59.7 -28.71 67.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.509 1.923 . . . . 0.0 112.2 -172.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.9 m -34.23 -46.6 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 125.79 1.636 . . . . 0.0 113.159 -178.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.32 36.01 1.77 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 109.915 -1.274 . . . . 0.0 109.915 168.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 42.96 48.23 5.06 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.633 1.573 . . . . 0.0 110.469 -172.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' CB ' ' HD3' ' A' ' 17' ' ' PRO . 56.6 tttm -32.3 -60.13 0.36 Allowed Pre-proline 0 CA--C 1.539 0.521 0 C-N-CA 126.847 2.059 . . . . 0.0 114.026 -173.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.407 ' HD3' ' CB ' ' A' ' 16' ' ' LYS . 20.2 Cg_exo -36.92 -44.05 1.05 Allowed 'Trans proline' 0 N--CA 1.454 -0.834 1 C-N-CA 126.738 4.959 . . . . 0.0 116.264 175.181 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.67 -19.41 52.58 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 113.29 -1.777 . . . . 0.0 113.795 -173.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.7 m -116.13 -41.63 3.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -173.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 61.45 -69.16 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 129.284 3.033 . . . . 0.0 111.404 176.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.33 26.02 2.84 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 124.624 1.107 . . . . 0.0 110.99 173.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 55.52 -158.93 0.21 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.175 1.39 . . . . 0.0 109.351 -166.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.569 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -158.99 -69.65 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.242 0 O-C-N 121.872 -0.518 . . . . 0.0 110.218 -168.074 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.569 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 89.4 Cg_endo -75.59 -154.03 0.04 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.535 1 C-N-CA 125.909 4.406 . . . . 0.0 108.843 169.158 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 66.79 -67.96 0.15 Allowed 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 127.377 2.271 . . . . 0.0 109.079 -166.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m 176.16 72.24 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 128.095 2.558 . . . . 0.0 107.182 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -135.2 -82.91 0.42 Allowed 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 122.069 0.938 . . . . 0.0 110.009 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 12.3 ttt -82.12 -66.72 0.85 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 113.842 -1.526 . . . . 0.0 107.259 168.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.9 p -101.44 -159.64 0.74 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.048 1.339 . . . . 0.0 108.647 171.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.7 p -132.65 -135.36 0.18 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.774 1.229 . . . . 0.0 109.284 -166.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -47.98 -35.66 11.25 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.735 1.152 . . . . 0.0 110.797 175.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.34 0 N-CA-C 105.372 -2.085 . . . . 0.0 105.372 155.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 mmt . . . . . 0 N--CA 1.471 0.596 0 CA-C-O 118.322 -0.847 . . . . 0.0 108.724 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.12 -130.11 0.09 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.758 1.223 . . . . 0.0 109.917 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.8 tmm? -39.59 -47.93 2.0 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 127.463 2.305 . . . . 0.0 112.487 -175.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.81 -45.77 74.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.552 0.341 . . . . 0.0 111.23 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.8 ttt -69.15 -44.25 72.69 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.037 0.535 . . . . 0.0 109.606 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.3 mmp_? -51.46 -49.19 62.23 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.6 m -63.6 -52.19 62.01 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.798 0.839 . . . . 0.0 110.72 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.28 -44.65 84.19 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -178.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -60.97 -51.4 69.42 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 122.076 -0.39 . . . . 0.0 110.147 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.87 -26.91 64.69 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.037 0.935 . . . . 0.0 111.922 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.86 -62.44 1.54 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.277 0.489 . . . . 0.0 110.185 169.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.8 mtt-85 -57.85 -39.87 78.74 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 124.809 1.244 . . . . 0.0 112.348 -169.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.9 p -51.86 -44.05 36.47 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 C-N-CA 123.331 0.653 . . . . 0.0 110.66 -177.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.88 -36.17 10.56 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.453 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 53.65 42.55 31.83 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.027 1.331 . . . . 0.0 109.153 -169.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -156.35 -71.36 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.472 0 C-N-CA 125.223 1.409 . . . . 0.0 112.454 -163.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -60.84 -79.42 0.01 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 125.015 3.81 . . . . 0.0 111.655 -164.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.1 46.95 0.33 Allowed 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 123.813 0.845 . . . . 0.0 110.398 170.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.7 t -135.46 -76.65 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 172.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -60.25 -46.7 88.9 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 113.608 -1.633 . . . . 0.0 108.888 172.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.16 33.77 5.07 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.098 0.856 . . . . 0.0 111.49 172.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.1 103.37 0.95 Allowed 'General case' 0 C--N 1.341 0.204 0 CA-C-N 118.927 1.363 . . . . 0.0 109.546 174.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.566 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -162.62 -71.68 0.01 OUTLIER Pre-proline 0 CA--C 1.53 0.204 0 C-N-CA 125.602 1.561 . . . . 0.0 107.613 171.245 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 56.2 Cg_endo -77.7 -162.32 0.17 Allowed 'Trans proline' 0 N--CA 1.44 -1.648 1 C-N-CA 125.958 4.439 . . . . 0.0 108.31 165.362 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.72 -175.78 1.79 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.878 0.871 . . . . 0.0 109.929 172.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -57.32 99.11 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.363 0.665 . . . . 0.0 111.574 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -88.25 -127.27 0.06 Allowed 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 126.089 1.755 . . . . 0.0 107.223 171.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.9 tpt -105.51 -75.68 0.62 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 124.837 1.255 . . . . 0.0 109.578 -174.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.7 m -171.73 179.05 2.9 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 129.018 2.927 . . . . 0.0 104.984 176.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.0 t -60.84 146.2 47.22 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 118.643 0.656 . . . . 0.0 110.474 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -167.0 -62.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 128.028 2.531 . . . . 0.0 104.882 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.453 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 142.689 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.9 mmt . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.29 36.59 0.24 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.575 1.15 . . . . 0.0 111.812 -174.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 83.2 mtp -56.44 -35.92 68.41 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.843 0.857 . . . . 0.0 108.725 170.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.35 -53.97 46.72 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.933 174.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 10.4 ttt -59.76 -45.66 91.57 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 123.112 0.565 . . . . 0.0 109.73 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -59.81 -40.3 87.91 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.3 m -66.83 -49.3 66.18 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -44.06 -52.85 6.83 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 124.116 0.966 . . . . 0.0 109.852 166.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -62.62 -50.18 72.26 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.855 0.862 . . . . 0.0 109.593 -172.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.6 -50.0 66.57 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.061 0.544 . . . . 0.0 110.363 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.93 -50.83 72.03 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 178.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -48.99 71.43 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.724 1.209 . . . . 0.0 109.636 -179.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.0 t -60.21 -50.79 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 123.542 0.737 . . . . 0.0 110.401 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.17 -36.19 67.51 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 175.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.45 54.47 2.05 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.48 1.112 . . . . 0.0 110.006 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 9.3 mtmp? -136.98 -66.69 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.456 0 C-N-CA 126.124 1.77 . . . . 0.0 107.912 171.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.407 ' CD ' ' CB ' ' A' ' 16' ' ' LYS . 95.7 Cg_exo -39.71 -56.02 1.48 Allowed 'Trans proline' 0 N--CA 1.452 -0.968 1 C-N-CA 126.044 4.496 . . . . 0.0 112.385 163.401 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.98 13.84 0.98 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 112.873 -1.967 . . . . 0.0 113.045 -178.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 72.7 t -133.03 0.23 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 125.526 1.53 . . . . 0.0 111.518 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.4 mtp-105 -43.73 -46.09 7.41 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 125.905 1.682 . . . . 0.0 112.906 -173.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.11 -51.92 33.49 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.622 -0.591 . . . . 0.0 111.622 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.69 63.7 6.95 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.556 ' CB ' ' CD ' ' A' ' 24' ' ' PRO 0.264 0.4 OUTLIER -70.13 -78.34 0.06 OUTLIER Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 170.243 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.556 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 50.6 Cg_endo -77.92 -158.96 0.09 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.478 1 C-N-CA 125.98 4.453 . . . . 0.0 108.419 170.298 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 68.56 -61.37 0.41 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 127.36 2.264 . . . . 0.0 112.693 171.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.8 p -130.7 21.84 5.05 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.287 1.035 . . . . 0.0 111.717 -175.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 37.2 ttt-85 -154.16 -136.46 0.06 Allowed 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 104.881 -2.266 . . . . 0.0 104.881 171.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.6 -52.92 1.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 124.282 1.033 . . . . 0.0 109.809 173.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.2 p -156.37 -159.78 0.92 Allowed 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.794 1.637 . . . . 0.0 107.146 174.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.1 t -103.61 -61.37 1.43 Allowed 'General case' 0 C--O 1.23 0.067 0 CA-C-N 118.965 0.802 . . . . 0.0 109.921 -172.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 29.0 ttm -153.75 -53.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 126.357 1.863 . . . . 0.0 106.38 -175.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.449 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 137.646 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.23 24.12 0.06 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.888 1.222 . . . . 0.0 113.851 -170.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -41.21 72.65 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 168.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.63 -49.28 73.27 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.953 0.501 . . . . 0.0 110.247 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 45.9 ttp -59.8 -49.87 76.04 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.506 0.722 . . . . 0.0 109.697 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -59.35 -37.46 77.91 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.955 -0.466 . . . . 0.0 112.037 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.9 m -65.02 -48.12 75.02 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -47.48 -51.09 21.55 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.906 0.883 . . . . 0.0 109.349 170.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -62.73 -52.03 64.83 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -173.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.5 -50.71 62.24 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.019 0.527 . . . . 0.0 110.676 176.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.65 -49.48 76.33 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.394 0.278 . . . . 0.0 110.829 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -63.73 -43.58 96.1 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.058 0.543 . . . . 0.0 111.273 -177.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.3 t -57.92 -46.47 87.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 173.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.96 48.33 2.01 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 118.408 0.549 . . . . 0.0 111.99 173.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.12 -123.36 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 128.014 2.526 . . . . 0.0 104.944 -174.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -147.87 156.1 44.33 Favored Pre-proline 0 N--CA 1.434 -1.261 0 N-CA-C 104.834 -2.284 . . . . 0.0 104.834 144.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -80.63 -93.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.508 1 C-N-CA 127.317 5.345 . . . . 0.0 105.976 148.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.48 144.64 50.79 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 101.608 -3.478 . . . . 0.0 101.608 139.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 m -76.41 94.23 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 124.162 1.934 . . . . 0.0 110.136 -145.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.24 -77.46 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 131.598 3.959 . . . . 0.0 111.221 173.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.06 -43.68 72.99 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.12 61.0 2.56 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.325 0.65 . . . . 0.0 112.219 -171.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.548 ' CB ' ' CD ' ' A' ' 24' ' ' PRO 0.252 1.1 ptt85 -153.2 -78.22 0.01 OUTLIER Pre-proline 0 CA--C 1.54 0.581 0 CA-C-N 118.34 0.518 . . . . 0.0 111.283 165.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.548 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 45.1 Cg_endo -80.63 -159.39 0.11 Allowed 'Trans proline' 0 N--CA 1.445 -1.339 1 C-N-CA 127.224 5.283 . . . . 0.0 109.149 179.593 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.89 62.71 1.13 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.201 1.001 . . . . 0.0 108.812 168.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m 16.04 81.08 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 129.215 3.006 . . . . 0.0 113.434 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.04 -138.35 0.37 Allowed 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 124.026 0.931 . . . . 0.0 108.706 -169.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 22.4 ptm -104.62 -50.68 3.24 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 125.514 1.525 . . . . 0.0 109.826 -176.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.2 m -158.24 156.58 30.99 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 126.158 1.783 . . . . 0.0 107.975 171.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 45.1 t -105.22 -52.05 2.91 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 124.894 1.278 . . . . 0.0 107.696 167.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -133.02 -63.5 0.77 Allowed 'General case' 0 CA--C 1.527 0.087 0 N-CA-C 105.731 -1.952 . . . . 0.0 105.731 157.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.843 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 142.291 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.39 -67.02 0.3 Allowed 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 122.415 1.102 . . . . 0.0 112.296 -168.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.6 ttp -51.13 -53.27 35.98 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 113.068 -1.878 . . . . 0.0 109.889 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.15 -52.11 65.54 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.966 0.506 . . . . 0.0 110.36 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.9 mtt -61.7 -45.04 95.7 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 122.765 0.426 . . . . 0.0 110.555 -178.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -58.64 -40.88 84.66 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.938 -0.477 . . . . 0.0 111.281 175.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.9 m -64.56 -48.61 74.38 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.81 -49.77 37.39 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 124.194 0.998 . . . . 0.0 109.19 171.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -62.63 -51.06 68.76 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.68 0.792 . . . . 0.0 109.519 -174.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.48 -52.26 60.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.977 0.511 . . . . 0.0 110.405 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.39 -53.99 51.01 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.96 0.409 . . . . 0.0 110.792 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -53.35 -51.9 60.95 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.919 1.688 . . . . 0.0 109.666 -177.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.9 t -59.12 -56.25 18.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 O-C-N 121.719 -0.613 . . . . 0.0 109.795 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.33 -33.35 16.01 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 123.464 0.554 . . . . 0.0 112.063 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.96 12.32 36.28 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -174.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -58.95 -46.8 99.51 Favored Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 172.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.0 -51.33 11.11 Favored 'Trans proline' 0 N--CA 1.452 -0.946 1 C-N-CA 125.89 4.393 . . . . 0.0 112.031 171.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.09 33.7 0.1 Allowed 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 126.666 1.986 . . . . 0.0 111.964 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.1 t -146.52 -64.17 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 C-N-CA 126.358 1.863 . . . . 0.0 107.127 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.27 -73.47 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 128.643 2.777 . . . . 0.0 110.996 179.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.45 -61.01 6.35 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 124.334 0.969 . . . . 0.0 110.928 -173.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.35 63.98 2.64 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.829 0.851 . . . . 0.0 110.22 -174.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.549 ' CB ' ' CD ' ' A' ' 24' ' ' PRO 0.257 7.8 tpp85 -113.57 -79.71 0.01 OUTLIER Pre-proline 0 CA--C 1.541 0.602 0 C-N-CA 125.704 1.601 . . . . 0.0 108.885 -174.703 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.549 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 41.3 Cg_endo -79.46 -143.77 0.02 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.05 1 C-N-CA 125.778 4.318 . . . . 0.0 108.659 170.019 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.06 -15.61 63.83 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.193 0.997 . . . . 0.0 113.45 -174.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.5 p -74.92 61.4 1.03 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.144 0.978 . . . . 0.0 110.82 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -139.08 -136.73 0.13 Allowed 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 124.635 1.174 . . . . 0.0 108.443 -171.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 45.5 ttp -125.29 -80.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 125.247 1.419 . . . . 0.0 108.878 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.7 t -83.47 -161.01 0.47 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.551 0.691 . . . . 0.0 110.684 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.6 t -58.81 -51.87 68.15 Favored 'General case' 0 N--CA 1.461 0.095 0 C-N-CA 124.312 1.045 . . . . 0.0 111.102 -176.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.7 tpt -144.46 42.24 1.37 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.264 1.026 . . . . 0.0 108.252 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 N-CA-C 104.782 -2.303 . . . . 0.0 104.782 173.901 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 118.898 -0.572 . . . . 0.0 109.699 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -50.26 -51.87 41.03 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 122.59 1.186 . . . . 0.0 112.228 -172.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -52.29 -52.36 53.32 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 112.945 -1.934 . . . . 0.0 109.915 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.38 -43.32 99.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 122.597 0.359 . . . . 0.0 110.324 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 32.1 ttm -57.77 -52.98 63.24 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -58.32 -42.52 86.95 Favored 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 121.941 -0.475 . . . . 0.0 110.702 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.8 m -58.33 -54.45 46.83 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.008 0.367 . . . . 0.0 110.752 177.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.19 -38.11 89.86 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -176.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -62.78 -52.56 62.73 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.39 -48.47 71.53 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 121.824 -0.548 . . . . 0.0 110.017 175.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.93 -53.51 40.29 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.532 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -34.19 69.66 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 122.974 0.51 . . . . 0.0 111.25 -175.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 t -52.71 -56.78 5.93 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 C-N-CA 123.913 0.885 . . . . 0.0 108.753 175.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.17 -27.44 68.31 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 176.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 53.28 41.98 32.1 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.591 1.556 . . . . 0.0 107.847 -157.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.417 ' CB ' ' HD3' ' A' ' 17' ' ' PRO . 41.9 mttp -144.6 -72.78 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.547 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 -159.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' A' ' 16' ' ' LYS . 54.4 Cg_exo -34.34 -61.3 0.23 Allowed 'Trans proline' 0 N--CA 1.459 -0.515 1 C-N-CA 126.839 5.026 . . . . 0.0 116.078 -168.887 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.05 40.12 2.9 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 126.082 1.753 . . . . 0.0 110.113 177.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.1 t -121.83 -56.92 2.91 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.1 0 C-N-CA 125.326 1.45 . . . . 0.0 108.441 174.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.5 mtp85 58.53 -70.6 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 129.671 3.189 . . . . 0.0 112.515 165.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.59 -20.77 10.45 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 125.159 1.362 . . . . 0.0 112.158 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.74 -161.83 0.57 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.532 1.533 . . . . 0.0 110.394 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.562 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -149.0 -72.74 0.02 OUTLIER Pre-proline 0 CA--C 1.53 0.177 0 O-C-N 121.518 -0.739 . . . . 0.0 109.164 162.685 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 97.9 Cg_endo -75.12 -149.88 0.03 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.308 1 C-N-CA 125.736 4.291 . . . . 0.0 108.353 169.856 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.75 68.27 2.3 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.357 -0.84 . . . . 0.0 109.477 177.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.5 t 103.8 -144.62 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 129.177 2.991 . . . . 0.0 107.37 -169.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -102.48 -127.43 0.22 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.329 1.451 . . . . 0.0 107.905 168.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.3 ttp -141.94 -69.45 0.36 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 126.2 1.8 . . . . 0.0 106.969 -176.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.0 p -100.57 -151.8 0.41 Allowed 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 163.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 51.8 t -48.44 -44.06 34.99 Favored 'General case' 0 C--O 1.23 0.058 0 CA-C-O 121.537 0.684 . . . . 0.0 110.405 159.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 27.1 ptm -104.73 163.27 12.62 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.868 174.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.936 0 C-N-CA 128.909 2.883 . . . . 0.0 104.144 165.083 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.4 mtm . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.27 20.38 0.09 Allowed 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -169.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.2 tpt -63.98 -43.36 95.96 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 167.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.38 -48.88 75.95 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.728 0.411 . . . . 0.0 110.0 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.7 ttt -59.58 -54.02 51.33 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.516 0.726 . . . . 0.0 110.057 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -54.63 -48.88 71.71 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.367 -0.208 . . . . 0.0 110.467 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.8 m -59.57 -52.35 65.93 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.871 0.468 . . . . 0.0 110.964 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.61 -47.28 86.91 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -177.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -54.95 -50.77 68.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.339 0.655 . . . . 0.0 110.331 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.18 -39.7 69.87 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.653 0.781 . . . . 0.0 111.028 176.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.03 -37.68 81.66 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 117.969 0.349 . . . . 0.0 111.377 175.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -66.3 -52.98 41.91 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 118.837 0.744 . . . . 0.0 109.953 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.3 m -56.37 131.49 19.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -173.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.27 -34.35 4.01 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-O 119.599 -0.556 . . . . 0.0 111.868 -173.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.39 -42.48 25.42 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 118.677 1.239 . . . . 0.0 111.619 177.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 66.5 mmtt -132.61 -76.29 0.01 OUTLIER Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 125.632 1.573 . . . . 0.0 111.938 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' A' ' 16' ' ' LYS . 5.2 Cg_endo -58.08 123.06 12.81 Favored 'Trans proline' 0 N--CA 1.434 -1.996 0 C-N-CA 124.155 3.236 . . . . 0.0 108.846 173.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 79.61 27.22 0.36 Allowed 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 129.303 3.041 . . . . 0.0 112.34 177.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.5 m -124.01 -128.4 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 161.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 58.63 -78.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.924 1.29 . . . . 0.0 108.051 -151.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.33 65.81 3.57 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 108.037 -2.025 . . . . 0.0 108.037 172.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.87 92.29 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.488 1.115 . . . . 0.0 113.807 -162.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.531 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -45.84 -62.74 1.59 Allowed Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 124.578 1.151 . . . . 0.0 111.654 166.611 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.531 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 4.0 Cg_exo -37.01 -31.49 0.11 Allowed 'Trans proline' 0 N--CA 1.456 -0.698 1 C-N-CA 128.815 6.343 . . . . 0.0 118.223 165.129 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 53.54 -126.05 2.37 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 113.436 -1.711 . . . . 0.0 106.505 -159.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.3 m 53.15 27.65 6.12 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.829 0.852 . . . . 0.0 112.593 169.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -175.22 -145.83 0.03 OUTLIER 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 102.091 -3.3 . . . . 0.0 102.091 -172.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.9 ttp -160.42 -116.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 167.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -152.71 148.95 27.87 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 126.293 1.837 . . . . 0.0 107.339 -173.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.6 p -157.06 -140.58 0.08 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 176.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -47.27 -43.31 22.08 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 119.117 0.871 . . . . 0.0 109.142 169.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.979 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 152.864 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.6 -10.7 28.24 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -171.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.2 ptm -51.84 -37.9 53.78 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 124.023 0.929 . . . . 0.0 110.047 167.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.13 87.62 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.207 -0.308 . . . . 0.0 110.29 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 91.3 mmm -63.42 -45.5 90.67 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -56.74 -46.67 81.23 Favored 'General case' 0 C--N 1.333 -0.142 0 O-C-N 121.926 -0.484 . . . . 0.0 110.43 177.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.8 m -59.78 -50.14 74.98 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.85 0.46 . . . . 0.0 110.378 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.94 -37.95 89.07 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -60.92 -49.13 78.71 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.84 81.94 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.833 0.453 . . . . 0.0 110.068 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.92 -51.8 68.13 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.259 0.224 . . . . 0.0 110.526 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.6 mtp-105 -51.51 -51.09 58.07 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.89 0.476 . . . . 0.0 110.494 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.8 t -58.95 -48.0 87.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 C-N-CA 122.597 0.359 . . . . 0.0 110.804 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.76 -37.7 70.12 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 174.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.15 57.65 3.65 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.58 0.752 . . . . 0.0 110.068 -176.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' CB ' ' HD3' ' A' ' 17' ' ' PRO . 56.9 tptt -146.66 -70.95 0.02 OUTLIER Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 124.734 1.214 . . . . 0.0 111.454 177.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HD3' ' CB ' ' A' ' 16' ' ' LYS . 12.2 Cg_endo -63.12 116.44 3.59 Favored 'Trans proline' 0 N--CA 1.439 -1.707 0 C-N-CA 124.692 3.595 . . . . 0.0 109.55 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 66.93 11.0 8.08 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 129.046 2.938 . . . . 0.0 113.14 -173.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.6 t -112.58 -10.97 12.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 125.771 1.628 . . . . 0.0 111.656 175.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.87 -66.0 0.14 Allowed 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 129.058 2.943 . . . . 0.0 110.212 176.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.1 79.73 0.07 OUTLIER Glycine 0 N--CA 1.442 -0.942 0 N-CA-C 107.736 -2.146 . . . . 0.0 107.736 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.57 69.21 0.16 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 168.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.532 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -114.42 -69.85 0.02 OUTLIER Pre-proline 0 N--CA 1.453 -0.319 0 N-CA-C 104.89 -2.263 . . . . 0.0 104.89 168.807 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 38.1 Cg_endo -77.77 -150.45 0.04 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.426 1 C-N-CA 125.976 4.451 . . . . 0.0 107.548 152.826 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.33 137.16 39.67 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.535 -0.728 . . . . 0.0 110.79 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.5 m -70.08 66.67 0.27 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.116 0.966 . . . . 0.0 111.46 172.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.8 mtp85 -145.4 129.62 17.64 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 104.677 -2.342 . . . . 0.0 104.677 161.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.6 tpt -93.72 -74.03 0.55 Allowed 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 126.71 2.004 . . . . 0.0 109.779 -177.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.4 p -74.53 -68.68 0.51 Allowed 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 123.084 1.421 . . . . 0.0 111.069 -170.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.3 t 167.22 -47.5 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 129.194 2.998 . . . . 0.0 108.245 -162.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.7 ttp -71.86 -48.03 48.74 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.889 0.875 . . . . 0.0 109.069 176.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.295 0 C-N-CA 126.639 1.976 . . . . 0.0 105.894 174.186 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.7 mmm . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.84 37.96 0.31 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.282 1.033 . . . . 0.0 112.296 -171.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.3 tpt -59.91 -32.34 70.67 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 169.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.17 -49.18 72.52 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.679 0.392 . . . . 0.0 110.173 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.5 tpt -62.76 -52.64 62.44 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -51.91 -49.35 63.23 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.1 m -62.01 -53.44 55.57 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.396 0.678 . . . . 0.0 111.005 -178.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.35 -42.15 98.22 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -176.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -62.36 -53.02 61.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 123.084 0.554 . . . . 0.0 109.774 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.3 -48.39 71.36 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.031 0.533 . . . . 0.0 110.458 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.07 -52.72 63.25 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -46.85 78.29 Favored 'General case' 0 C--O 1.228 -0.074 0 C-N-CA 122.534 0.333 . . . . 0.0 111.238 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.1 t -58.81 -48.63 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 122.854 0.462 . . . . 0.0 110.317 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.14 -38.38 85.57 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 174.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.32 60.51 3.79 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.551 1.14 . . . . 0.0 109.979 -176.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.439 ' CB ' ' HD3' ' A' ' 17' ' ' PRO . 62.8 tttp -150.69 -67.53 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.47 0 C-N-CA 127.08 2.152 . . . . 0.0 106.898 171.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.439 ' HD3' ' CB ' ' A' ' 16' ' ' LYS . 83.0 Cg_exo -37.22 -55.55 0.94 Allowed 'Trans proline' 0 N--CA 1.451 -0.98 1 C-N-CA 125.853 4.369 . . . . 0.0 112.703 159.417 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.35 19.87 1.79 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 113.485 -1.689 . . . . 0.0 112.797 -178.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.7 t -121.01 -49.53 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 C-N-CA 124.739 1.216 . . . . 0.0 109.749 174.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.6 mtm105 -56.22 -64.26 0.92 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 113.621 -1.627 . . . . 0.0 107.945 165.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.58 67.19 3.57 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 108.429 -1.868 . . . . 0.0 108.429 166.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.03 144.13 9.37 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.535 0.734 . . . . 0.0 111.155 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.569 ' CB ' ' CD ' ' A' ' 24' ' ' PRO 0.294 0.0 OUTLIER -119.49 -83.36 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.752 0 C-N-CA 124.088 0.955 . . . . 0.0 109.65 174.32 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.569 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 37.2 Cg_endo -82.83 -150.15 0.04 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.897 1 C-N-CA 127.048 5.165 . . . . 0.0 109.646 176.904 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.49 75.83 0.1 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.133 0.973 . . . . 0.0 108.602 165.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.8 m -79.68 69.64 6.02 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.33 1.052 . . . . 0.0 111.582 -163.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -89.9 -127.5 0.07 Allowed 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 105.157 -2.164 . . . . 0.0 105.157 159.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.37 -59.58 2.0 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.214 -1.773 . . . . 0.0 106.214 152.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 m -161.7 158.19 25.56 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 126.248 1.819 . . . . 0.0 106.606 165.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 45.5 t -107.14 -49.4 3.28 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.763 1.225 . . . . 0.0 108.304 165.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 96.2 mtp -132.92 -63.47 0.77 Allowed 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 105.528 -2.027 . . . . 0.0 105.528 163.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.442 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 141.957 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.1 mmt . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 118.703 -0.665 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.52 -41.83 77.39 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 122.299 1.047 . . . . 0.0 112.708 -172.379 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.8 tpt -61.1 -48.26 82.47 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 113.436 -1.711 . . . . 0.0 109.849 178.43 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.79 -46.09 89.63 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -56.01 -55.94 26.76 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.29 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -49.03 -55.58 11.6 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 123.736 0.814 . . . . 0.0 109.928 177.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.9 m -58.52 -51.61 69.13 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.019 0.528 . . . . 0.0 111.355 -176.405 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.12 -41.57 94.76 Favored 'General case' 0 CA--C 1.527 0.076 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -175.838 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -61.81 -50.37 72.58 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.37 -50.22 72.17 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.154 0.582 . . . . 0.0 109.985 177.136 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.7 -48.23 69.75 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.475 0.31 . . . . 0.0 110.567 177.03 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -59.89 -50.23 74.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.853 179.116 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.7 t -52.01 -49.86 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 118.983 0.811 . . . . 0.0 108.934 175.266 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.03 1.77 1.23 Allowed Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.519 1.057 . . . . 0.0 114.794 176.694 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.73 51.69 1.05 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 118.971 1.385 . . . . 0.0 108.828 170.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' CB ' ' CD ' ' A' ' 17' ' ' PRO 0.289 17.7 mmtp -73.85 -71.63 0.21 Allowed Pre-proline 0 C--N 1.344 0.344 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 174.407 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' A' ' 16' ' ' LYS . 58.9 Cg_endo -72.36 -132.61 0.01 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.459 0 C-N-CA 123.493 2.795 . . . . 0.0 105.092 144.714 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.35 -24.18 62.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 120.33 -1.481 . . . . 0.0 113.025 167.117 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.8 m -164.13 114.89 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 126.093 1.757 . . . . 0.0 110.525 -173.758 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.8 ttm105 57.75 -78.6 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.296 1.838 . . . . 0.0 113.496 164.393 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -154.41 27.08 0.68 Allowed Glycine 0 CA--C 1.53 0.999 0 C-N-CA 124.754 1.169 . . . . 0.0 111.48 -178.666 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.58 -156.22 0.3 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 117.401 0.601 . . . . 0.0 109.676 171.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.586 ' CB ' ' CD ' ' A' ' 24' ' ' PRO 0.254 0.0 OUTLIER -116.38 -82.71 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.393 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 167.9 . . . . . . . . 4 4 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.586 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 42.2 Cg_endo -74.86 -169.54 0.64 Allowed 'Trans proline' 0 N--CA 1.438 -1.753 1 C-N-CA 125.759 4.306 . . . . 0.0 108.22 164.577 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.18 53.49 1.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 124.376 1.07 . . . . 0.0 111.695 -169.293 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -76.11 61.81 1.61 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.868 0.867 . . . . 0.0 110.59 -179.682 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -144.38 -127.23 0.08 Allowed 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.816 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.02 -81.57 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 125.841 1.656 . . . . 0.0 106.654 -174.37 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 p -61.47 163.74 6.49 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.767 0.827 . . . . 0.0 109.678 156.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.5 t -98.4 -61.19 1.41 Allowed 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.361 1.065 . . . . 0.0 109.428 177.02 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 45.1 ttm -51.62 -32.29 28.41 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.142 1.377 . . . . 0.0 112.651 -173.059 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.158 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 177.268 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.96 81.83 0.93 Allowed 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 173.33 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 70.1 mtm -49.79 -27.31 4.8 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.298 0.639 . . . . 0.0 110.568 170.176 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.21 93.93 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.428 0.691 . . . . 0.0 110.682 175.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 27.3 ttt -65.1 -52.25 56.57 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.976 0.91 . . . . 0.0 109.116 -179.403 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -49.39 -53.89 20.18 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 173.066 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.5 m -58.42 -52.68 64.6 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.926 0.491 . . . . 0.0 111.376 -176.684 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.35 -47.84 84.01 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -177.453 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -56.24 -51.06 69.48 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -178.582 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.32 -43.36 74.84 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.932 0.893 . . . . 0.0 111.14 176.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.83 -40.51 96.78 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.709 -0.62 . . . . 0.0 111.16 176.422 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -69.89 -47.02 64.17 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.097 0.559 . . . . 0.0 111.29 -175.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.1 m -59.25 128.2 19.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 118.743 0.701 . . . . 0.0 110.103 -175.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.52 5.16 90.03 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 123.786 0.708 . . . . 0.0 112.83 -174.837 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.88 -42.8 2.81 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 124.989 1.316 . . . . 0.0 112.061 172.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' CB ' ' CD ' ' A' ' 17' ' ' PRO 0.266 46.5 mmtt -123.26 -73.76 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.531 0 C-N-CA 125.08 1.352 . . . . 0.0 111.842 174.776 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 16' ' ' LYS . 16.7 Cg_exo -49.38 122.29 8.39 Favored 'Trans proline' 0 N--CA 1.434 -1.987 0 C-N-CA 124.132 3.221 . . . . 0.0 108.305 163.111 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 71.47 27.03 3.12 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 128.863 2.865 . . . . 0.0 112.316 -176.108 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.7 t -135.66 -48.71 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 C-N-CA 124.52 1.128 . . . . 0.0 111.134 172.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.8 ttp85 59.68 -74.48 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 128.75 2.82 . . . . 0.0 109.071 -172.175 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.37 47.11 0.32 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 108.05 -2.02 . . . . 0.0 108.05 176.175 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.02 151.49 22.24 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.568 1.147 . . . . 0.0 109.065 170.295 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.53 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -44.1 -67.83 0.33 Allowed Pre-proline 0 CA--C 1.537 0.468 0 C-N-CA 125.632 1.573 . . . . 0.0 112.042 173.26 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.53 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 22.5 Cg_endo -68.8 110.78 2.44 Favored 'Trans proline' 0 N--CA 1.435 -1.916 0 C-N-CA 124.998 3.799 . . . . 0.0 111.277 178.292 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.21 79.7 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 111.475 -2.602 . . . . 0.0 107.419 163.081 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.9 m -74.32 61.93 0.93 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.289 1.435 . . . . 0.0 112.432 -165.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -93.6 -134.15 0.17 Allowed 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 106.06 -1.829 . . . . 0.0 106.06 158.051 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.3 ptp 164.97 -59.88 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 129.285 3.034 . . . . 0.0 106.759 178.357 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.4 m -157.01 151.62 25.56 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.765 2.026 . . . . 0.0 106.706 167.275 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.8 t -151.81 -51.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 123.663 0.785 . . . . 0.0 110.684 -173.246 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 78.2 mtm -128.93 -60.93 1.07 Allowed 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 172.26 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.428 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 139.054 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.469 0.484 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.44 56.75 3.7 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 165.3 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.7 ttt -74.92 73.96 2.15 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 105.072 -2.195 . . . . 0.0 105.072 175.005 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -36.26 87.92 0.0 OUTLIER 'General case' 0 C--N 1.339 0.115 0 C-N-CA 125.228 1.411 . . . . 0.0 112.205 -134.174 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.7 tpt -39.22 -52.31 1.95 Allowed 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 127.972 2.509 . . . . 0.0 112.749 -168.139 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -55.31 -48.93 73.39 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.014 0.435 . . . . 0.0 111.055 178.455 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 t -64.92 -52.61 55.45 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.925 1.29 . . . . 0.0 108.856 -178.645 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -40.88 -54.69 2.65 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.647 1.979 . . . . 0.0 109.961 169.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -63.83 -54.25 37.97 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -175.271 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.4 -35.58 63.02 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 122.893 0.477 . . . . 0.0 111.947 179.017 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.67 -45.02 63.23 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 122.034 -0.416 . . . . 0.0 111.165 175.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.6 mmm-85 -82.61 -24.26 33.97 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -170.704 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.2 m -57.59 146.61 6.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 120.189 1.359 . . . . 0.0 108.714 170.734 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.91 -61.84 2.92 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 -168.283 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.11 46.38 0.4 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.315 1.446 . . . . 0.0 112.147 178.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 51.1 mttm -138.35 -63.8 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 128.191 2.597 . . . . 0.0 106.862 167.379 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 16' ' ' LYS . 97.2 Cg_exo -40.81 -62.15 0.41 Allowed 'Trans proline' 0 N--CA 1.45 -1.04 1 C-N-CA 125.892 4.395 . . . . 0.0 113.336 163.139 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.96 41.43 0.66 Allowed 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 125.548 1.539 . . . . 0.0 111.312 -173.516 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.4 p -160.95 -44.34 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-O 123.171 1.462 . . . . 0.0 110.143 173.408 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.7 tpp85 73.24 -55.89 0.67 Allowed 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 128.881 2.873 . . . . 0.0 110.464 174.278 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -48.11 -45.56 26.94 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 178.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.44 22.96 1.71 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -177.54 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.526 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 12.4 tpt85 -64.44 -67.49 1.04 Allowed Pre-proline 0 CA--C 1.54 0.579 0 O-C-N 121.64 -0.663 . . . . 0.0 109.363 166.422 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.526 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 1.6 Cg_exo -34.54 -40.91 0.23 Allowed 'Trans proline' 0 N--CA 1.453 -0.91 1 C-N-CA 127.99 5.793 . . . . 0.0 116.138 169.492 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.19 57.77 0.16 Allowed 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 126.068 1.747 . . . . 0.0 111.012 172.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -99.43 113.34 25.63 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.94 1.696 . . . . 0.0 106.882 168.175 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.3 mmt-85 -142.69 141.3 31.8 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 103.66 -2.719 . . . . 0.0 103.66 -177.238 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.61 -48.23 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 128.531 2.732 . . . . 0.0 108.04 -178.653 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.3 m -113.16 163.23 15.02 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.465 1.506 . . . . 0.0 110.718 173.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.3 m -136.29 -87.28 0.33 Allowed 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 162.788 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 93.6 mtp -66.58 -39.68 88.58 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 168.243 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.235 0 N-CA-C 104.696 -2.335 . . . . 0.0 104.696 168.726 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.49 58.92 2.79 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.371 1.068 . . . . 0.0 109.658 -177.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.9 ttt -55.32 -27.51 47.48 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.651 169.041 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.83 -47.61 82.15 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.622 0.369 . . . . 0.0 110.198 174.254 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 54.5 ttp -64.49 -49.31 71.85 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -179.568 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.7 mtm105 -54.26 -47.98 71.68 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 178.179 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.2 m -62.21 -51.96 65.7 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.122 0.569 . . . . 0.0 110.612 -178.679 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.98 -43.33 95.2 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -178.797 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -58.59 -54.66 44.53 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -179.093 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.29 -49.11 70.38 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 122.662 0.385 . . . . 0.0 110.75 177.215 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.54 -52.92 43.1 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.524 0.73 . . . . 0.0 110.316 179.454 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.4 mtt-85 -68.81 -39.97 79.77 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.524 1.129 . . . . 0.0 111.512 -177.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 t -50.67 -54.97 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 123.718 0.807 . . . . 0.0 109.406 174.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.12 -25.37 71.31 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.597 176.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 48.73 41.71 18.42 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.552 1.541 . . . . 0.0 108.081 -155.707 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' CB ' ' HD3' ' A' ' 17' ' ' PRO . 21.5 mmtp -144.03 -72.37 0.02 OUTLIER Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -161.426 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.412 ' HD3' ' CB ' ' A' ' 16' ' ' LYS . 62.5 Cg_exo -34.63 -56.16 0.48 Allowed 'Trans proline' 0 N--CA 1.458 -0.572 1 C-N-CA 126.45 4.767 . . . . 0.0 116.2 -168.404 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -122.42 45.56 2.34 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 125.816 1.646 . . . . 0.0 110.082 176.226 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 t -136.08 -51.62 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 124.866 1.266 . . . . 0.0 109.96 179.108 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 54.46 -72.88 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 130.332 3.453 . . . . 0.0 112.636 168.088 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.54 -6.76 21.28 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 125.755 1.645 . . . . 0.0 112.752 -172.732 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.53 77.72 1.96 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.33 1.565 . . . . 0.0 109.227 176.829 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.515 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.27 -74.83 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.304 0 C-N-CA 124.917 1.287 . . . . 0.0 107.562 174.22 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.515 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 66.5 Cg_endo -75.82 -165.33 0.29 Allowed 'Trans proline' 0 N--CA 1.441 -1.61 1 C-N-CA 125.47 4.113 . . . . 0.0 108.547 164.38 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.6 58.94 3.92 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.987 0.915 . . . . 0.0 109.652 -176.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.5 m -67.96 71.45 0.16 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.137 1.375 . . . . 0.0 112.806 -169.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.3 ttp-105 -66.55 -43.4 85.19 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 125.522 1.529 . . . . 0.0 110.454 172.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 32.3 tpp 171.8 -71.59 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.715 1 C-N-CA 131.84 4.056 . . . . 0.0 103.014 178.513 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.7 m -53.33 167.41 0.2 Allowed 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 114.401 -1.272 . . . . 0.0 110.876 144.449 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.6 t -97.28 -59.06 1.86 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 166.026 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 98.1 mtp -129.03 -68.06 0.76 Allowed 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 105.075 -2.195 . . . . 0.0 105.075 170.143 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 142.445 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.8 mmt . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.64 68.76 3.78 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.196 0.998 . . . . 0.0 108.964 -179.676 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 59.8 ttm -50.31 -30.39 11.89 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.557 166.347 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.82 79.14 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.893 0.477 . . . . 0.0 110.325 176.755 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.7 tpt -62.88 -48.3 79.58 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.555 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -53.03 -48.95 67.21 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 109.969 178.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.1 m -60.27 -52.91 63.28 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.149 0.58 . . . . 0.0 111.106 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -42.47 96.43 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.484 0.659 . . . . 0.0 109.304 -176.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -61.65 -50.92 70.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.163 0.985 . . . . 0.0 109.555 -179.438 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.6 -49.81 69.56 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.473 0.709 . . . . 0.0 110.469 176.06 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.0 -49.77 74.77 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.55 0.34 . . . . 0.0 110.453 179.124 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -57.04 -52.14 66.46 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.645 0.378 . . . . 0.0 110.686 178.732 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.8 t -55.94 -41.25 66.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 118.086 0.403 . . . . 0.0 110.091 177.058 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.15 -22.15 57.64 Favored Glycine 0 CA--C 1.531 1.062 0 CA-C-O 118.969 -0.906 . . . . 0.0 113.288 176.327 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.01 61.24 3.82 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.908 1.354 . . . . 0.0 111.082 -172.676 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.415 ' CB ' ' HD3' ' A' ' 17' ' ' PRO . 9.1 mmtp -175.12 -58.34 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.397 0 C-N-CA 129.443 3.097 . . . . 0.0 107.711 176.461 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.415 ' HD3' ' CB ' ' A' ' 16' ' ' LYS . 89.1 Cg_exo -39.25 -74.06 0.04 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.195 1 C-N-CA 125.971 4.447 . . . . 0.0 112.059 159.908 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.81 43.52 0.59 Allowed 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 124.797 1.239 . . . . 0.0 110.722 -178.285 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 50.8 t -146.88 -50.94 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 CA-C-O 122.264 1.03 . . . . 0.0 110.548 179.003 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.48 -49.67 2.24 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 127.032 2.133 . . . . 0.0 109.892 -176.555 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.42 -29.97 76.17 Favored Glycine 0 CA--C 1.531 1.055 0 CA-C-N 115.661 -0.7 . . . . 0.0 113.125 -174.303 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -155.02 151.25 28.22 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.454 1.501 . . . . 0.0 107.423 -176.662 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.54 ' CB ' ' CD ' ' A' ' 24' ' ' PRO 0.271 0.0 OUTLIER -104.26 -78.61 0.02 OUTLIER Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 170.246 . . . . . . . . 4 4 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 35.8 Cg_endo -76.67 -152.26 0.04 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.301 1 C-N-CA 125.979 4.453 . . . . 0.0 107.904 164.926 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.11 64.02 1.34 Allowed 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.62 -0.675 . . . . 0.0 109.7 170.463 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.6 m -57.1 120.25 7.72 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.452 1.101 . . . . 0.0 110.003 177.571 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.39 -46.55 6.34 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 125.75 1.62 . . . . 0.0 111.942 -175.13 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.1 ttt -62.78 -58.57 6.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.038 -1.437 . . . . 0.0 108.192 173.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.5 m 144.27 150.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 1 C-N-CA 132.486 4.314 . . . . 0.0 107.455 169.564 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.2 t 49.15 -84.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 127.143 2.177 . . . . 0.0 111.644 -174.628 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.2 ptp -64.07 -34.7 78.62 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.478 1.111 . . . . 0.0 112.131 -167.891 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 N-CA-C 105.592 -2.003 . . . . 0.0 105.592 -177.886 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 mmt . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.13 -139.03 0.14 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.079 0.952 . . . . 0.0 110.301 -176.412 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -39.89 -46.19 1.97 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.989 2.116 . . . . 0.0 111.819 177.694 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.71 -44.84 63.35 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.641 0.776 . . . . 0.0 111.831 179.725 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 60.9 ttp -65.17 -50.9 64.18 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -177.059 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -55.54 -48.29 74.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.367 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.2 m -60.23 -54.07 50.19 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.437 0.695 . . . . 0.0 111.268 179.502 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.29 -42.18 98.21 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -176.472 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -61.23 -53.18 60.11 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.76 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.92 -47.44 74.4 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.142 0.577 . . . . 0.0 110.555 178.461 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.85 -50.91 71.02 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 176.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -59.53 -43.76 93.38 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 122.046 -0.409 . . . . 0.0 111.47 -179.379 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.4 t -56.42 -51.77 60.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 118.377 0.535 . . . . 0.0 109.619 174.176 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.85 -37.77 29.1 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 173.848 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.9 45.32 0.97 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.802 1.241 . . . . 0.0 110.141 178.613 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -29.76 148.29 0.04 OUTLIER Pre-proline 0 N--CA 1.426 -1.656 0 N-CA-C 119.127 3.01 . . . . 0.0 119.127 -168.357 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.406 ' C ' ' H ' ' A' ' 19' ' ' VAL . 33.6 Cg_endo -73.27 -145.67 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.155 1 C-N-CA 127.226 5.284 . . . . 0.0 107.582 171.107 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.08 20.56 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -176.51 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.406 ' H ' ' C ' ' A' ' 17' ' ' PRO . 61.6 t -79.66 -30.23 13.43 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.142 0 C-N-CA 123.205 0.602 . . . . 0.0 109.912 159.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.3 tpp180 -5.93 -63.41 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 130.494 3.518 . . . . 0.0 114.965 174.026 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.94 -47.58 14.36 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.294 0.95 . . . . 0.0 112.256 -179.35 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.58 72.9 1.95 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 168.462 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.558 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -58.06 -72.1 0.26 Allowed Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 123.839 0.856 . . . . 0.0 112.241 -173.973 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.558 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 64.5 Cg_endo -79.66 -168.99 0.7 Allowed 'Trans proline' 0 N--CA 1.438 -1.745 1 C-N-CA 126.45 4.767 . . . . 0.0 109.241 173.201 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.88 72.33 0.81 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 168.179 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.4 m -71.02 149.66 46.39 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -150.615 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.4 mmt-85 -69.17 -50.22 49.6 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 125.405 1.482 . . . . 0.0 110.186 168.553 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.9 tpt -121.21 -69.63 0.83 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 112.599 -2.091 . . . . 0.0 108.143 179.046 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.1 p 138.85 164.37 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 130.397 3.479 . . . . 0.0 107.342 -169.813 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 50.3 t 63.67 -72.31 0.05 Allowed 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 126.56 1.944 . . . . 0.0 111.336 178.081 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 91.5 mtp -71.84 -54.98 8.42 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.466 1.107 . . . . 0.0 109.661 179.154 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.826 0 CA-C-O 116.72 -1.61 . . . . 0.0 108.671 -177.425 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.8 8.81 0.46 Allowed 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -170.044 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -58.86 -44.97 91.15 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 160.45 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.33 -48.14 81.48 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.683 0.393 . . . . 0.0 110.076 177.937 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -57.37 -57.49 12.41 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.411 0.684 . . . . 0.0 109.373 178.724 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -52.21 -49.35 64.11 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.24 0.216 . . . . 0.0 110.63 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.1 m -59.08 -54.57 45.56 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.739 0.416 . . . . 0.0 111.278 -179.658 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.42 -46.5 89.85 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 -176.438 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -56.35 -50.18 72.24 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.81 0.844 . . . . 0.0 110.347 -179.481 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.87 -47.38 74.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.819 0.448 . . . . 0.0 110.246 176.01 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.93 -42.36 89.55 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 122.245 -0.284 . . . . 0.0 110.948 176.847 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 mmt85 -61.8 -51.67 67.33 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 -179.274 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.7 t -53.35 -42.3 47.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 174.808 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.03 -19.33 10.93 Favored Glycine 0 CA--C 1.533 1.215 0 CA-C-O 118.563 -1.131 . . . . 0.0 114.604 175.409 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.91 16.6 13.43 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.361 1.58 . . . . 0.0 110.569 177.353 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.262 35.5 mttp 57.93 129.91 0.02 OUTLIER Pre-proline 0 N--CA 1.436 -1.156 0 C-N-CA 128.402 2.681 . . . . 0.0 111.655 -159.029 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -64.52 -88.52 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.094 1 C-N-CA 126.168 4.578 . . . . 0.0 110.51 -155.904 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.26 33.83 0.05 OUTLIER 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 124.714 1.205 . . . . 0.0 111.697 173.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.1 t -119.03 -64.21 1.73 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 CA-C-O 122.066 0.936 . . . . 0.0 110.042 174.355 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.1 ttt-85 -115.75 -44.82 2.92 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 113.259 -1.791 . . . . 0.0 109.578 -179.153 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -47.04 -44.02 18.36 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 123.83 0.729 . . . . 0.0 111.792 176.276 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.54 68.95 0.82 Allowed 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 166.61 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.533 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.8 tpm_? -55.86 -72.24 0.22 Allowed Pre-proline 0 CA--C 1.538 0.515 0 C-N-CA 125.055 1.342 . . . . 0.0 109.542 170.774 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.533 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 19.3 Cg_endo -65.07 114.47 2.82 Favored 'Trans proline' 0 N--CA 1.432 -2.107 0 C-N-CA 124.428 3.419 . . . . 0.0 107.697 164.41 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -159.76 -131.37 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 128.275 2.63 . . . . 0.0 106.166 -179.018 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -73.02 53.3 0.35 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.085 0.857 . . . . 0.0 110.748 170.762 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.9 mtt85 -147.18 -133.05 0.07 Allowed 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 127.429 2.291 . . . . 0.0 105.123 -175.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 30.6 tpp -162.89 -78.34 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 126.038 1.735 . . . . 0.0 107.123 172.005 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.402 ' HG ' ' C ' ' A' ' 32' ' ' ALA . 97.3 p -110.57 -63.63 1.37 Allowed 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 122.882 1.325 . . . . 0.0 110.297 175.7 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.7 t -100.4 -56.27 2.39 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 128.423 2.689 . . . . 0.0 109.402 174.5 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.7 ptt? -159.48 -51.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 128.268 2.627 . . . . 0.0 106.133 178.204 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.402 ' C ' ' HG ' ' A' ' 29' ' ' SER . . . . . . . . 0 C--O 1.25 1.123 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 142.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.291 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 55.5 ttm -48.05 -37.14 14.32 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 125.625 1.57 . . . . 0.0 110.663 172.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.22 -42.07 90.13 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.918 -0.488 . . . . 0.0 110.965 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -78.15 -42.75 30.74 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.64 1.176 . . . . 0.0 109.343 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -47.0 -52.46 14.7 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 170.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.9 m -67.84 -46.36 72.02 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.377 0.671 . . . . 0.0 111.503 -175.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.74 -47.24 77.28 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 118.604 0.638 . . . . 0.0 109.297 176.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -61.36 -53.87 51.08 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.66 -21.01 37.54 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.394 1.078 . . . . 0.0 112.06 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.66 -57.12 3.83 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 118.646 0.657 . . . . 0.0 110.671 166.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.0 mmt-85 -65.19 -14.47 60.7 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 118.056 -0.974 . . . . 0.0 113.593 -170.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -47.54 -43.39 9.06 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-N 119.898 1.226 . . . . 0.0 111.032 163.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.19 -24.12 5.82 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 124.567 1.08 . . . . 0.0 112.343 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.311 0 C-N-CA 127.255 2.222 . . . . 0.0 110.482 -172.206 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.226 0 CA-C-O 122.558 1.17 . . . . 0.0 112.186 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 10.1 tmm? -56.62 -52.98 62.8 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 112.996 -1.911 . . . . 0.0 109.01 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.05 77.73 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.199 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 42.6 tpp -57.14 -52.07 66.76 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 121.075 0.464 . . . . 0.0 110.285 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.41 -45.27 55.56 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 123.782 0.833 . . . . 0.0 110.388 177.212 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.8 m -64.45 -48.47 75.16 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 122.974 0.509 . . . . 0.0 109.943 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -52.01 -44.2 64.02 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.354 1.062 . . . . 0.0 109.99 176.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -67.7 -50.28 58.35 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -34.1 64.25 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.867 0.867 . . . . 0.0 111.291 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.54 -60.49 2.68 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 170.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -60.18 -28.37 67.89 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 118.086 -0.959 . . . . 0.0 113.443 -172.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -33.47 -49.35 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 126.619 1.968 . . . . 0.0 113.409 -173.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.19 38.56 1.46 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 167.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.221 0 C-N-CA 126.14 1.776 . . . . 0.0 110.345 -171.004 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -58.04 -35.05 70.74 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 169.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.97 -46.72 84.69 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.85 0.86 . . . . 0.0 109.848 174.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -61.49 -55.43 31.24 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.52 -54.53 31.46 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 122.343 -0.223 . . . . 0.0 111.018 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.3 p -59.56 -60.05 4.46 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 122.758 0.423 . . . . 0.0 110.815 -176.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.67 -44.1 69.4 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -177.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.33 -55.68 22.64 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -177.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.52 -31.96 66.57 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.011 0.525 . . . . 0.0 111.506 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.09 -56.32 8.05 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.162 0.437 . . . . 0.0 110.479 171.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -74.59 -24.93 58.96 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.611 -0.709 . . . . 0.0 112.452 -164.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.9 m -56.45 117.35 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 119.861 1.209 . . . . 0.0 108.881 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 54.85 15.5 6.54 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.512 1.053 . . . . 0.0 113.765 -173.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.313 0 C-N-CA 125.485 1.514 . . . . 0.0 110.853 -166.717 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.289 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.3 mmt -44.08 -43.3 6.78 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 126.19 1.796 . . . . 0.0 111.137 171.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.7 98.33 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 122.125 -0.359 . . . . 0.0 110.831 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -69.73 -46.77 65.18 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 -51.4 -49.55 61.37 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.152 0.581 . . . . 0.0 109.865 173.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 71.0 m -60.63 -51.79 67.91 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.097 0.559 . . . . 0.0 109.9 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.9 -39.89 93.56 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -175.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -62.5 -52.96 61.4 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.06 -39.94 69.76 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.788 0.435 . . . . 0.0 110.564 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.15 -54.08 44.58 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.9 mmt-85 -62.07 -47.56 84.1 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 118.458 0.572 . . . . 0.0 111.603 176.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.77 -42.01 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 118.375 0.534 . . . . 0.0 110.177 -169.274 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.48 -26.88 31.61 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-O 119.781 -0.455 . . . . 0.0 112.003 173.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.299 0 C-N-CA 125.778 1.631 . . . . 0.0 109.036 -164.074 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 113.923 1.082 . . . . 0.0 113.923 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.5 mtt -61.8 -46.12 90.93 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 167.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.22 -48.89 75.57 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.8 ttp -59.39 -57.64 12.09 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.506 0.722 . . . . 0.0 110.266 -177.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -46.0 92.34 Favored 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.894 -175.032 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 65.2 m -52.78 -59.45 4.48 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.946 0.498 . . . . 0.0 110.997 175.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 t -62.93 -39.98 96.25 Favored 'General case' 0 C--N 1.339 0.11 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -173.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -61.48 -54.13 47.33 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.26 -47.49 75.39 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.278 0.631 . . . . 0.0 110.387 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.69 -55.34 30.81 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -55.37 -47.48 75.73 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.015 0.37 . . . . 0.0 110.965 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.8 t -56.33 -49.32 77.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.042 0.537 . . . . 0.0 110.732 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.21 -41.71 99.57 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 174.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.213 0 C-N-CA 124.669 1.188 . . . . 0.0 110.399 -170.949 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.272 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -43.6 70.37 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 124.433 1.093 . . . . 0.0 108.833 164.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.46 -48.27 82.29 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.708 0.403 . . . . 0.0 110.173 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 16.3 tpt -60.63 -49.8 76.07 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.981 0.513 . . . . 0.0 109.797 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 56.1 ttt85 -51.74 -51.69 54.25 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.898 0.479 . . . . 0.0 109.941 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.9 m -59.9 -52.04 67.11 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.184 0.594 . . . . 0.0 110.548 -177.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -42.81 99.46 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -59.39 -47.78 84.12 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 122.022 -0.424 . . . . 0.0 109.901 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.91 -48.06 83.24 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.562 0.345 . . . . 0.0 110.943 176.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.24 83.84 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.514 0.725 . . . . 0.0 111.442 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 68.7 mtp85 -74.39 -71.48 0.34 Allowed 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 125.245 1.418 . . . . 0.0 110.463 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 p 32.49 -108.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 125.843 1.657 . . . . 0.0 109.462 -152.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.9 54.67 3.44 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-N 120.267 1.394 . . . . 0.0 111.071 172.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.321 0 C-N-CA 128.593 2.757 . . . . 0.0 113.497 -167.419 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.207 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.0 tpt -51.95 -37.05 51.42 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 123.703 0.801 . . . . 0.0 109.734 167.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.29 -48.9 73.39 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.35 0.26 . . . . 0.0 110.513 174.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.3 mmt -66.39 -46.12 77.71 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.8 mtp85 -53.09 -46.87 68.84 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 175.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.4 m -64.91 -48.77 72.98 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.082 0.553 . . . . 0.0 110.421 -178.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -44.5 90.27 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -62.47 -48.73 78.33 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 122.954 0.501 . . . . 0.0 109.935 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.83 -42.9 68.97 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.859 0.464 . . . . 0.0 110.308 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.65 -46.4 90.45 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 119.298 -0.382 . . . . 0.0 110.608 175.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.4 mmt-85 -55.43 -52.36 63.84 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 118.768 0.713 . . . . 0.0 110.2 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.8 t -55.31 -47.24 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.37 -27.8 18.1 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 123.862 0.744 . . . . 0.0 112.729 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.226 0 C-N-CA 124.028 0.931 . . . . 0.0 112.153 -177.12 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.277 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.7 mtp -48.84 -45.65 41.02 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 125.17 1.388 . . . . 0.0 109.779 163.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.26 -48.81 79.71 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.607 0.363 . . . . 0.0 110.278 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -48.19 82.81 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.282 0.633 . . . . 0.0 109.593 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -53.86 -53.35 53.79 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 122.846 0.458 . . . . 0.0 109.934 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.1 m -57.07 -52.88 63.5 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.367 -177.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.94 -41.62 99.55 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -177.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -62.2 -40.43 96.06 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.86 92.24 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.871 0.759 . . . . 0.0 110.81 174.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.1 99.39 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.898 -0.501 . . . . 0.0 110.842 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -60.42 -70.56 0.17 Allowed 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.111 0.564 . . . . 0.0 109.592 169.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.7 m 31.13 -121.77 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 125.067 1.347 . . . . 0.0 109.085 -144.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.37 49.03 2.93 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-N 120.619 1.554 . . . . 0.0 111.768 173.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.303 0 C-N-CA 127.413 2.285 . . . . 0.0 111.811 -168.478 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.591 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 60.9 ttm -50.6 -37.13 38.35 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 174.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.4 93.85 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.994 0.917 . . . . 0.0 110.663 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.5 tmm? -65.29 -52.67 52.62 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -54.18 -52.8 60.03 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 119.687 -0.197 . . . . 0.0 111.449 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.2 p -60.6 -57.88 10.82 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 122.8 0.44 . . . . 0.0 110.596 -176.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.93 -45.64 78.72 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -177.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -58.77 -53.41 58.72 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 121.962 -0.461 . . . . 0.0 110.077 -178.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.14 -43.72 74.45 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.674 0.39 . . . . 0.0 110.939 177.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.78 -53.9 52.93 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 122.168 -0.332 . . . . 0.0 110.358 176.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -60.24 -42.41 95.2 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 124.69 1.196 . . . . 0.0 111.468 -177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.2 t -48.05 -55.52 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 123.768 0.827 . . . . 0.0 110.243 176.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.24 -26.11 64.66 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 176.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.25 0 C-N-CA 126.438 1.895 . . . . 0.0 109.268 -160.023 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 121.25 0.547 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.3 ttt -53.88 -29.97 43.94 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 168.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.2 85.83 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.155 0.582 . . . . 0.0 110.473 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -61.5 -53.72 52.66 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 83.2 mmt-85 -51.98 -47.18 64.99 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.514 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.8 m -60.72 -55.25 35.46 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.223 0.609 . . . . 0.0 111.076 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.79 -44.49 96.76 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -176.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -54.7 -55.48 29.29 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.771 0.828 . . . . 0.0 109.43 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.72 -37.88 74.33 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.064 0.546 . . . . 0.0 111.777 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -27.98 65.19 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 118.978 -0.534 . . . . 0.0 112.04 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -98.79 -54.5 2.99 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 118.547 0.612 . . . . 0.0 111.847 -176.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.6 t -66.14 154.11 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.49 -56.8 2.48 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -173.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.41 0 C-N-CA 126.155 1.782 . . . . 0.0 111.747 -174.482 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 121.542 0.686 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 61.6 ttp -52.18 -34.15 43.9 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 163.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.61 -54.75 42.89 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.804 0.441 . . . . 0.0 109.98 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 42.6 tpp -60.7 -49.92 75.57 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.986 0.514 . . . . 0.0 109.629 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -54.64 -47.35 73.61 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.592 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.9 m -63.44 -49.39 73.87 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.642 0.377 . . . . 0.0 110.75 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.62 -42.68 97.34 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 -178.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -61.42 -48.62 80.38 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.776 -0.578 . . . . 0.0 109.989 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.0 -43.1 69.77 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 122.266 -0.271 . . . . 0.0 110.389 175.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.75 -49.2 78.46 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.845 -0.598 . . . . 0.0 110.678 175.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? -52.95 -46.88 68.36 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 119.305 0.957 . . . . 0.0 110.416 176.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.2 t -60.7 -51.69 70.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 122.636 0.374 . . . . 0.0 110.318 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.57 -36.78 65.31 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 176.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.246 0 C-N-CA 124.664 1.185 . . . . 0.0 110.467 -178.194 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.694 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -46.9 -30.42 2.52 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.446 166.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.53 -46.93 83.75 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 122.992 0.517 . . . . 0.0 110.193 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 37.2 ttm -63.11 -47.14 84.09 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -56.37 -45.12 80.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.803 177.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -58.86 -54.11 50.79 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.554 0.742 . . . . 0.0 109.715 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.89 -48.66 80.8 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.492 ' O ' HG13 ' A' ' 13' ' ' VAL . 60.9 t80 -52.79 -52.02 58.43 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.892 1.277 . . . . 0.0 109.934 -173.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.75 -33.27 55.2 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.676 0.79 . . . . 0.0 112.504 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.79 -48.35 14.98 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.95 0.881 . . . . 0.0 109.649 173.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -59.7 -28.71 67.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.509 1.923 . . . . 0.0 112.2 -172.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 9' ' ' PHE . 29.9 m -34.23 -46.6 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 125.79 1.636 . . . . 0.0 113.159 -178.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.32 36.01 1.77 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 109.915 -1.274 . . . . 0.0 109.915 168.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.244 0 C-N-CA 125.633 1.573 . . . . 0.0 110.469 -172.804 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.32 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.8 tmm? -39.59 -47.93 2.0 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 127.463 2.305 . . . . 0.0 112.487 -175.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.81 -45.77 74.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.552 0.341 . . . . 0.0 111.23 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.8 ttt -69.15 -44.25 72.69 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.037 0.535 . . . . 0.0 109.606 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.3 mmp_? -51.46 -49.19 62.23 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.6 m -63.6 -52.19 62.01 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.798 0.839 . . . . 0.0 110.72 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.28 -44.65 84.19 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -178.37 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -60.97 -51.4 69.42 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 122.076 -0.39 . . . . 0.0 110.147 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.87 -26.91 64.69 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.037 0.935 . . . . 0.0 111.922 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.86 -62.44 1.54 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.277 0.489 . . . . 0.0 110.185 169.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.8 mtt-85 -57.85 -39.87 78.74 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 124.809 1.244 . . . . 0.0 112.348 -169.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.9 p -51.86 -44.05 36.47 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 C-N-CA 123.331 0.653 . . . . 0.0 110.66 -177.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.88 -36.17 10.56 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.453 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.308 0 C-N-CA 125.027 1.331 . . . . 0.0 109.153 -169.636 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.371 0 CA-C-O 120.888 0.375 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 83.2 mtp -56.44 -35.92 68.41 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.843 0.857 . . . . 0.0 108.725 170.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.35 -53.97 46.72 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.933 174.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 10.4 ttt -59.76 -45.66 91.57 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 123.112 0.565 . . . . 0.0 109.73 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -59.81 -40.3 87.91 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.3 m -66.83 -49.3 66.18 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -44.06 -52.85 6.83 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 124.116 0.966 . . . . 0.0 109.852 166.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -62.62 -50.18 72.26 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.855 0.862 . . . . 0.0 109.593 -172.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.6 -50.0 66.57 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.061 0.544 . . . . 0.0 110.363 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.93 -50.83 72.03 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 178.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -48.99 71.43 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.724 1.209 . . . . 0.0 109.636 -179.32 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.0 t -60.21 -50.79 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 123.542 0.737 . . . . 0.0 110.401 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.17 -36.19 67.51 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 175.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.244 0 C-N-CA 124.48 1.112 . . . . 0.0 110.006 -178.5 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.478 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -41.21 72.65 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 168.403 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.63 -49.28 73.27 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.953 0.501 . . . . 0.0 110.247 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 45.9 ttp -59.8 -49.87 76.04 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.506 0.722 . . . . 0.0 109.697 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -59.35 -37.46 77.91 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.955 -0.466 . . . . 0.0 112.037 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.9 m -65.02 -48.12 75.02 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -47.48 -51.09 21.55 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.906 0.883 . . . . 0.0 109.349 170.403 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -62.73 -52.03 64.83 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -173.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.5 -50.71 62.24 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.019 0.527 . . . . 0.0 110.676 176.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.65 -49.48 76.33 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.394 0.278 . . . . 0.0 110.829 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -63.73 -43.58 96.1 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.058 0.543 . . . . 0.0 111.273 -177.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.3 t -57.92 -46.47 87.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 173.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.96 48.33 2.01 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 118.408 0.549 . . . . 0.0 111.99 173.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 C-N-CA 128.014 2.526 . . . . 0.0 104.944 -174.134 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.238 0 CA-C-O 122.415 1.102 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.6 ttp -51.13 -53.27 35.98 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 113.068 -1.878 . . . . 0.0 109.889 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.15 -52.11 65.54 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.966 0.506 . . . . 0.0 110.36 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.9 mtt -61.7 -45.04 95.7 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 122.765 0.426 . . . . 0.0 110.555 -178.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -58.64 -40.88 84.66 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.938 -0.477 . . . . 0.0 111.281 175.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.9 m -64.56 -48.61 74.38 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.81 -49.77 37.39 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 124.194 0.998 . . . . 0.0 109.19 171.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -62.63 -51.06 68.76 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.68 0.792 . . . . 0.0 109.519 -174.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.48 -52.26 60.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.977 0.511 . . . . 0.0 110.405 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.39 -53.99 51.01 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.96 0.409 . . . . 0.0 110.792 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -53.35 -51.9 60.95 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.919 1.688 . . . . 0.0 109.666 -177.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.9 t -59.12 -56.25 18.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 O-C-N 121.719 -0.613 . . . . 0.0 109.795 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.33 -33.35 16.01 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 123.464 0.554 . . . . 0.0 112.063 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.156 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -174.523 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 122.59 1.186 . . . . 0.0 112.228 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -52.29 -52.36 53.32 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 112.945 -1.934 . . . . 0.0 109.915 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.38 -43.32 99.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 122.597 0.359 . . . . 0.0 110.324 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 32.1 ttm -57.77 -52.98 63.24 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -58.32 -42.52 86.95 Favored 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 121.941 -0.475 . . . . 0.0 110.702 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.8 m -58.33 -54.45 46.83 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.008 0.367 . . . . 0.0 110.752 177.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.19 -38.11 89.86 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -176.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -62.78 -52.56 62.73 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.39 -48.47 71.53 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 121.824 -0.548 . . . . 0.0 110.017 175.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.93 -53.51 40.29 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.532 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -34.19 69.66 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 122.974 0.51 . . . . 0.0 111.25 -175.268 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 t -52.71 -56.78 5.93 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 C-N-CA 123.913 0.885 . . . . 0.0 108.753 175.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.17 -27.44 68.31 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 176.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.234 0 C-N-CA 125.591 1.556 . . . . 0.0 107.847 -157.213 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.2 tpt -63.98 -43.36 95.96 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 167.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.38 -48.88 75.95 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.728 0.411 . . . . 0.0 110.0 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.7 ttt -59.58 -54.02 51.33 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.516 0.726 . . . . 0.0 110.057 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -54.63 -48.88 71.71 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.367 -0.208 . . . . 0.0 110.467 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.8 m -59.57 -52.35 65.93 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.871 0.468 . . . . 0.0 110.964 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.61 -47.28 86.91 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -177.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -54.95 -50.77 68.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.339 0.655 . . . . 0.0 110.331 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.18 -39.7 69.87 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.653 0.781 . . . . 0.0 111.028 176.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.03 -37.68 81.66 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 117.969 0.349 . . . . 0.0 111.377 175.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -66.3 -52.98 41.91 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 118.837 0.744 . . . . 0.0 109.953 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.3 m -56.37 131.49 19.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -173.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.27 -34.35 4.01 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-O 119.599 -0.556 . . . . 0.0 111.868 -173.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.197 0 CA-C-N 118.677 1.239 . . . . 0.0 111.619 177.692 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.276 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.2 ptm -51.84 -37.9 53.78 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 124.023 0.929 . . . . 0.0 110.047 167.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.13 87.62 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.207 -0.308 . . . . 0.0 110.29 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 91.3 mmm -63.42 -45.5 90.67 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -56.74 -46.67 81.23 Favored 'General case' 0 C--N 1.333 -0.142 0 O-C-N 121.926 -0.484 . . . . 0.0 110.43 177.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.8 m -59.78 -50.14 74.98 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.85 0.46 . . . . 0.0 110.378 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.94 -37.95 89.07 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -60.92 -49.13 78.71 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.84 81.94 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.833 0.453 . . . . 0.0 110.068 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.92 -51.8 68.13 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.259 0.224 . . . . 0.0 110.526 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.6 mtp-105 -51.51 -51.09 58.07 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.89 0.476 . . . . 0.0 110.494 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.8 t -58.95 -48.0 87.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 C-N-CA 122.597 0.359 . . . . 0.0 110.804 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.76 -37.7 70.12 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 174.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.281 0 C-N-CA 123.58 0.752 . . . . 0.0 110.068 -176.889 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.3 tpt -59.91 -32.34 70.67 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 169.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.17 -49.18 72.52 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.679 0.392 . . . . 0.0 110.173 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.5 tpt -62.76 -52.64 62.44 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -51.91 -49.35 63.23 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.1 m -62.01 -53.44 55.57 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.396 0.678 . . . . 0.0 111.005 -178.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.35 -42.15 98.22 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -176.394 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -62.36 -53.02 61.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 123.084 0.554 . . . . 0.0 109.774 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.3 -48.39 71.36 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.031 0.533 . . . . 0.0 110.458 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.07 -52.72 63.25 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -46.85 78.29 Favored 'General case' 0 C--O 1.228 -0.074 0 C-N-CA 122.534 0.333 . . . . 0.0 111.238 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.1 t -58.81 -48.63 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 122.854 0.462 . . . . 0.0 110.317 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.14 -38.38 85.57 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 174.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.22 0 C-N-CA 124.551 1.14 . . . . 0.0 109.979 -176.574 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.204 0 CA-C-O 122.299 1.047 . . . . 0.0 112.708 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.8 tpt -61.1 -48.26 82.47 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 113.436 -1.711 . . . . 0.0 109.849 178.43 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.79 -46.09 89.63 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -56.01 -55.94 26.76 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.29 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -49.03 -55.58 11.6 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 123.736 0.814 . . . . 0.0 109.928 177.623 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.9 m -58.52 -51.61 69.13 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.019 0.528 . . . . 0.0 111.355 -176.405 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.12 -41.57 94.76 Favored 'General case' 0 CA--C 1.527 0.076 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -175.838 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -61.81 -50.37 72.58 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.37 -50.22 72.17 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.154 0.582 . . . . 0.0 109.985 177.136 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.7 -48.23 69.75 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.475 0.31 . . . . 0.0 110.567 177.03 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -59.89 -50.23 74.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.853 179.116 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.7 t -52.01 -49.86 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 118.983 0.811 . . . . 0.0 108.934 175.266 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.03 1.77 1.23 Allowed Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.519 1.057 . . . . 0.0 114.794 176.694 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.44 0 CA-C-N 118.971 1.385 . . . . 0.0 108.828 170.99 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.723 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 70.1 mtm -49.79 -27.31 4.8 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.298 0.639 . . . . 0.0 110.568 170.176 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.21 93.93 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.428 0.691 . . . . 0.0 110.682 175.816 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 27.3 ttt -65.1 -52.25 56.57 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.976 0.91 . . . . 0.0 109.116 -179.403 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -49.39 -53.89 20.18 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 173.066 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.5 m -58.42 -52.68 64.6 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.926 0.491 . . . . 0.0 111.376 -176.684 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.35 -47.84 84.01 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -177.453 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -56.24 -51.06 69.48 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -178.582 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.32 -43.36 74.84 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.932 0.893 . . . . 0.0 111.14 176.882 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.83 -40.51 96.78 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.709 -0.62 . . . . 0.0 111.16 176.422 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -69.89 -47.02 64.17 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.097 0.559 . . . . 0.0 111.29 -175.874 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.1 m -59.25 128.2 19.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 118.743 0.701 . . . . 0.0 110.103 -175.813 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.52 5.16 90.03 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 123.786 0.708 . . . . 0.0 112.83 -174.837 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.228 0 C-N-CA 124.989 1.316 . . . . 0.0 112.061 172.826 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.7 ttt -74.92 73.96 2.15 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 105.072 -2.195 . . . . 0.0 105.072 175.005 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -36.26 87.92 0.0 OUTLIER 'General case' 0 C--N 1.339 0.115 0 C-N-CA 125.228 1.411 . . . . 0.0 112.205 -134.174 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.7 tpt -39.22 -52.31 1.95 Allowed 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 127.972 2.509 . . . . 0.0 112.749 -168.139 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -55.31 -48.93 73.39 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.014 0.435 . . . . 0.0 111.055 178.455 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 t -64.92 -52.61 55.45 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.925 1.29 . . . . 0.0 108.856 -178.645 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -40.88 -54.69 2.65 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.647 1.979 . . . . 0.0 109.961 169.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -63.83 -54.25 37.97 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -175.271 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.4 -35.58 63.02 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 122.893 0.477 . . . . 0.0 111.947 179.017 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.67 -45.02 63.23 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 122.034 -0.416 . . . . 0.0 111.165 175.895 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.6 mmm-85 -82.61 -24.26 33.97 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -170.704 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.2 m -57.59 146.61 6.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 120.189 1.359 . . . . 0.0 108.714 170.734 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.91 -61.84 2.92 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 -168.283 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.592 0 C-N-CA 125.315 1.446 . . . . 0.0 112.147 178.866 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 121.402 0.62 . . . . 0.0 109.658 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.9 ttt -55.32 -27.51 47.48 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.651 169.041 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.83 -47.61 82.15 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.622 0.369 . . . . 0.0 110.198 174.254 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 54.5 ttp -64.49 -49.31 71.85 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -179.568 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.7 mtm105 -54.26 -47.98 71.68 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 178.179 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.2 m -62.21 -51.96 65.7 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.122 0.569 . . . . 0.0 110.612 -178.679 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.98 -43.33 95.2 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -178.797 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -58.59 -54.66 44.53 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -179.093 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.29 -49.11 70.38 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 122.662 0.385 . . . . 0.0 110.75 177.215 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.54 -52.92 43.1 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.524 0.73 . . . . 0.0 110.316 179.454 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.4 mtt-85 -68.81 -39.97 79.77 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.524 1.129 . . . . 0.0 111.512 -177.812 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 t -50.67 -54.97 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 123.718 0.807 . . . . 0.0 109.406 174.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.12 -25.37 71.31 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.597 176.835 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.263 0 C-N-CA 125.552 1.541 . . . . 0.0 108.081 -155.707 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.548 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 59.8 ttm -50.31 -30.39 11.89 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.557 166.347 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.82 79.14 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.893 0.477 . . . . 0.0 110.325 176.755 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.7 tpt -62.88 -48.3 79.58 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.555 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -53.03 -48.95 67.21 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 109.969 178.861 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.1 m -60.27 -52.91 63.28 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.149 0.58 . . . . 0.0 111.106 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -42.47 96.43 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.484 0.659 . . . . 0.0 109.304 -176.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -61.65 -50.92 70.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.163 0.985 . . . . 0.0 109.555 -179.438 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.6 -49.81 69.56 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.473 0.709 . . . . 0.0 110.469 176.06 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.0 -49.77 74.77 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.55 0.34 . . . . 0.0 110.453 179.124 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -57.04 -52.14 66.46 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.645 0.378 . . . . 0.0 110.686 178.732 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.8 t -55.94 -41.25 66.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 118.086 0.403 . . . . 0.0 110.091 177.058 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.15 -22.15 57.64 Favored Glycine 0 CA--C 1.531 1.062 0 CA-C-O 118.969 -0.906 . . . . 0.0 113.288 176.327 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.403 0 CA-C-N 118.908 1.354 . . . . 0.0 111.082 -172.676 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.432 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -39.89 -46.19 1.97 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.989 2.116 . . . . 0.0 111.819 177.694 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.71 -44.84 63.35 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.641 0.776 . . . . 0.0 111.831 179.725 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 60.9 ttp -65.17 -50.9 64.18 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -177.059 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -55.54 -48.29 74.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.367 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.2 m -60.23 -54.07 50.19 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.437 0.695 . . . . 0.0 111.268 179.502 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.29 -42.18 98.21 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -176.472 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -61.23 -53.18 60.11 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.76 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.92 -47.44 74.4 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.142 0.577 . . . . 0.0 110.555 178.461 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.85 -50.91 71.02 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 176.879 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -59.53 -43.76 93.38 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 122.046 -0.409 . . . . 0.0 111.47 -179.379 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.4 t -56.42 -51.77 60.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 118.377 0.535 . . . . 0.0 109.619 174.176 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.85 -37.77 29.1 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 173.848 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.299 0 C-N-CA 124.802 1.241 . . . . 0.0 110.141 178.613 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.356 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -58.86 -44.97 91.15 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 160.45 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.33 -48.14 81.48 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.683 0.393 . . . . 0.0 110.076 177.937 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -57.37 -57.49 12.41 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.411 0.684 . . . . 0.0 109.373 178.724 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -52.21 -49.35 64.11 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.24 0.216 . . . . 0.0 110.63 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.1 m -59.08 -54.57 45.56 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.739 0.416 . . . . 0.0 111.278 -179.658 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.42 -46.5 89.85 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 -176.438 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -56.35 -50.18 72.24 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.81 0.844 . . . . 0.0 110.347 -179.481 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.87 -47.38 74.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.819 0.448 . . . . 0.0 110.246 176.01 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.93 -42.36 89.55 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 122.245 -0.284 . . . . 0.0 110.948 176.847 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 mmt85 -61.8 -51.67 67.33 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 -179.274 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.7 t -53.35 -42.3 47.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 174.808 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.03 -19.33 10.93 Favored Glycine 0 CA--C 1.533 1.215 0 CA-C-O 118.563 -1.131 . . . . 0.0 114.604 175.409 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.212 0 CA-C-N 119.361 1.58 . . . . 0.0 110.569 177.353 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.02 -24.63 55.08 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -173.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 55.5 ttm -48.05 -37.14 14.32 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 125.625 1.57 . . . . 0.0 110.663 172.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.22 -42.07 90.13 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.918 -0.488 . . . . 0.0 110.965 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -78.15 -42.75 30.74 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.64 1.176 . . . . 0.0 109.343 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -47.0 -52.46 14.7 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 170.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.9 m -67.84 -46.36 72.02 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.377 0.671 . . . . 0.0 111.503 -175.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.74 -47.24 77.28 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 118.604 0.638 . . . . 0.0 109.297 176.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -61.36 -53.87 51.08 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.66 -21.01 37.54 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.394 1.078 . . . . 0.0 112.06 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.66 -57.12 3.83 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 118.646 0.657 . . . . 0.0 110.671 166.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.0 mmt-85 -65.19 -14.47 60.7 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 118.056 -0.974 . . . . 0.0 113.593 -170.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -47.54 -43.39 9.06 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-N 119.898 1.226 . . . . 0.0 111.032 163.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.19 -24.12 5.82 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 124.567 1.08 . . . . 0.0 112.343 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 75.55 -58.81 0.55 Allowed 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 127.255 2.222 . . . . 0.0 110.482 -172.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -21.18 -59.85 0.07 OUTLIER Pre-proline 0 C--N 1.32 -0.689 0 C-N-CA 129.754 3.222 . . . . 0.0 114.992 171.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -37.43 -43.22 1.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.904 1 C-N-CA 125.928 4.418 . . . . 0.0 116.368 172.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.98 12.76 29.29 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 125.709 1.603 . . . . 0.0 113.86 -174.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.6 m -143.65 -44.04 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.62 -48.14 6.75 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 127.286 2.234 . . . . 0.0 108.192 176.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.14 -66.66 2.58 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 108.717 -1.753 . . . . 0.0 108.717 172.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.25 59.34 0.76 Allowed 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.932 -0.746 . . . . 0.0 110.232 169.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.559 ' HB3' ' CD ' ' A' ' 24' ' ' PRO . 10.0 tpt180 -74.79 -75.77 0.1 OUTLIER Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 164.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.559 ' CD ' ' HB3' ' A' ' 23' ' ' ARG . 27.9 Cg_endo -79.98 -147.8 0.03 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.492 1 C-N-CA 125.304 4.003 . . . . 0.0 107.201 156.178 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.84 12.07 9.91 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.192 -0.942 . . . . 0.0 113.24 -171.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 p -77.2 67.75 3.21 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.152 -0.967 . . . . 0.0 111.352 -173.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -139.33 -126.4 0.12 Allowed 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 168.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 52.0 ttm -151.04 -99.8 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 125.114 1.366 . . . . 0.0 108.311 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.9 m -157.31 162.07 39.14 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 174.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.6 p -176.24 171.52 2.46 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 118.025 0.375 . . . . 0.0 109.99 -166.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 27.4 ttt -71.39 -42.15 68.75 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 124.045 0.841 . . . . 0.0 109.228 167.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 C-N-CA 125.895 1.678 . . . . 0.0 106.604 175.647 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.1 -47.9 79.92 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 122.558 1.17 . . . . 0.0 112.186 -172.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 10.1 tmm? -56.62 -52.98 62.8 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 112.996 -1.911 . . . . 0.0 109.01 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.05 77.73 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.199 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 42.6 tpp -57.14 -52.07 66.76 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 121.075 0.464 . . . . 0.0 110.285 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.41 -45.27 55.56 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 123.782 0.833 . . . . 0.0 110.388 177.212 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.8 m -64.45 -48.47 75.16 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 122.974 0.509 . . . . 0.0 109.943 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -52.01 -44.2 64.02 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.354 1.062 . . . . 0.0 109.99 176.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -67.7 -50.28 58.35 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -34.1 64.25 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.867 0.867 . . . . 0.0 111.291 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.54 -60.49 2.68 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 170.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -60.18 -28.37 67.89 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 118.086 -0.959 . . . . 0.0 113.443 -172.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -33.47 -49.35 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 126.619 1.968 . . . . 0.0 113.409 -173.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.19 38.56 1.46 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 167.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 43.12 47.42 5.25 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 126.14 1.776 . . . . 0.0 110.345 -171.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -34.46 -58.23 0.66 Allowed Pre-proline 0 CA--C 1.537 0.444 0 C-N-CA 126.906 2.082 . . . . 0.0 114.677 -173.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -37.76 -51.33 1.83 Allowed 'Trans proline' 0 N--CA 1.452 -0.954 1 C-N-CA 125.588 4.192 . . . . 0.0 114.736 172.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.13 -15.18 61.98 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.467 -1.697 . . . . 0.0 113.313 -176.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.3 t -80.56 -15.53 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 124.902 1.281 . . . . 0.0 111.486 172.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -97.59 -41.83 7.96 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 125.153 1.381 . . . . 0.0 108.804 173.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.1 -58.85 9.71 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 168.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.58 73.93 2.59 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.829 -0.807 . . . . 0.0 109.303 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.553 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -54.64 -72.52 0.2 Allowed Pre-proline 0 CA--C 1.537 0.475 0 C-N-CA 123.622 0.769 . . . . 0.0 109.54 172.378 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.553 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 61.9 Cg_endo -78.57 -173.41 1.84 Allowed 'Trans proline' 0 N--CA 1.436 -1.867 1 C-N-CA 126.515 4.81 . . . . 0.0 108.449 167.285 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 44.53 40.91 4.29 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.891 1.677 . . . . 0.0 110.575 -171.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -71.73 91.66 1.14 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.287 1.435 . . . . 0.0 111.449 -164.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.75 -122.75 0.09 Allowed 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 170.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 32.0 ttp -70.76 -75.32 0.12 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 153.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.8 p -92.74 -112.29 0.1 Allowed 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 161.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.7 t -136.57 153.97 50.83 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 125.517 1.527 . . . . 0.0 107.096 162.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.0 tpt 67.67 -46.72 0.5 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.522 2.329 . . . . 0.0 110.886 -169.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 158.214 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.472 0.669 0 N-CA-C 105.956 -1.868 . . . . 0.0 105.956 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.97 152.4 45.58 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 120.852 1.66 . . . . 0.0 108.67 170.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -58.04 -35.05 70.74 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 169.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.97 -46.72 84.69 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.85 0.86 . . . . 0.0 109.848 174.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -61.49 -55.43 31.24 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.52 -54.53 31.46 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 122.343 -0.223 . . . . 0.0 111.018 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.3 p -59.56 -60.05 4.46 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 122.758 0.423 . . . . 0.0 110.815 -176.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.67 -44.1 69.4 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -177.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.33 -55.68 22.64 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -177.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.52 -31.96 66.57 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.011 0.525 . . . . 0.0 111.506 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.09 -56.32 8.05 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.162 0.437 . . . . 0.0 110.479 171.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -74.59 -24.93 58.96 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.611 -0.709 . . . . 0.0 112.452 -164.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.9 m -56.45 117.35 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 119.861 1.209 . . . . 0.0 108.881 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 54.85 15.5 6.54 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.512 1.053 . . . . 0.0 113.765 -173.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 42.04 46.59 3.67 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.485 1.514 . . . . 0.0 110.853 -166.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.449 ' CB ' ' HD3' ' A' ' 17' ' ' PRO . 34.6 mtpt -22.21 -65.03 0.06 OUTLIER Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 126.799 2.04 . . . . 0.0 115.473 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.449 ' HD3' ' CB ' ' A' ' 16' ' ' LYS . 35.0 Cg_exo -33.97 -47.05 0.48 Allowed 'Trans proline' 0 N--CA 1.455 -0.791 1 C-N-CA 127.012 5.141 . . . . 0.0 116.292 174.115 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.89 18.95 19.29 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 126.669 1.988 . . . . 0.0 112.962 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.0 m -135.83 -41.93 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-O 122.398 1.094 . . . . 0.0 112.065 170.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 53.12 -119.44 1.51 Allowed 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 126.662 1.985 . . . . 0.0 109.345 -177.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.86 37.29 3.89 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 172.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.544 ' HB2' ' HB3' ' A' ' 29' ' ' SER . . . -138.72 179.53 6.42 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.936 1.694 . . . . 0.0 108.222 -173.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.541 ' HB3' ' CD ' ' A' ' 24' ' ' PRO 0.265 3.0 tpm_? -90.67 -83.63 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.612 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 170.606 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.541 ' CD ' ' HB3' ' A' ' 23' ' ' ARG . 38.8 Cg_endo -76.32 117.87 4.75 Favored 'Trans proline' 0 N--CA 1.439 -1.723 0 C-N-CA 124.563 3.509 . . . . 0.0 112.385 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 75.99 173.31 0.24 Allowed 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 128.112 2.565 . . . . 0.0 114.163 153.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.1 m -72.52 63.17 0.57 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.815 1.646 . . . . 0.0 112.186 -177.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.513 ' NH2' ' HB1' ' A' ' 22' ' ' ALA . 48.9 mtm180 -86.79 -125.62 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 161.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.3 tpt -150.64 -73.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 165.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.544 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 6.7 t 63.35 -162.91 0.27 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.802 1.641 . . . . 0.0 111.702 171.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.5 t -159.93 -49.91 0.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 127.245 2.218 . . . . 0.0 108.109 178.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.8 ttm -66.98 -60.13 2.9 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.247 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.286 0 CA-C-O 117.995 -1.003 . . . . 0.0 108.986 -172.605 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.5 -29.39 50.22 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -173.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.3 mmt -44.08 -43.3 6.78 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 126.19 1.796 . . . . 0.0 111.137 171.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.7 98.33 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 122.125 -0.359 . . . . 0.0 110.831 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -69.73 -46.77 65.18 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 -51.4 -49.55 61.37 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.152 0.581 . . . . 0.0 109.865 173.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 71.0 m -60.63 -51.79 67.91 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.097 0.559 . . . . 0.0 109.9 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.9 -39.89 93.56 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -175.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -62.5 -52.96 61.4 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.06 -39.94 69.76 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.788 0.435 . . . . 0.0 110.564 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.15 -54.08 44.58 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.9 mmt-85 -62.07 -47.56 84.1 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 118.458 0.572 . . . . 0.0 111.603 176.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.77 -42.01 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 118.375 0.534 . . . . 0.0 110.177 -169.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.48 -26.88 31.61 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-O 119.781 -0.455 . . . . 0.0 112.003 173.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 51.73 40.0 26.58 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.778 1.631 . . . . 0.0 109.036 -164.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -155.12 -77.03 0.01 OUTLIER Pre-proline 0 CA--C 1.538 0.5 0 C-N-CA 125.644 1.577 . . . . 0.0 114.327 -167.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -57.2 -63.44 0.16 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 124.809 3.673 . . . . 0.0 111.409 -156.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.26 13.23 6.7 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 112.055 -2.338 . . . . 0.0 112.24 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.9 t -92.02 -52.9 9.46 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-O 122.903 1.335 . . . . 0.0 108.817 168.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -74.55 -55.29 6.09 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 112.908 -1.951 . . . . 0.0 109.098 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.91 -70.82 1.16 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -175.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.74 55.35 2.98 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 121.995 -0.709 . . . . 0.0 110.909 -172.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.543 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.0 OUTLIER -70.34 -71.45 0.27 Allowed Pre-proline 0 N--CA 1.452 -0.348 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 164.448 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.543 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 44.2 Cg_endo -76.59 -134.35 0.01 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.939 1 C-N-CA 125.705 4.27 . . . . 0.0 107.941 162.254 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 69.44 -62.96 0.4 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 127.227 2.211 . . . . 0.0 111.975 169.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.1 m -145.56 21.39 1.5 Allowed 'General case' 0 C--N 1.332 -0.184 0 O-C-N 121.719 -0.613 . . . . 0.0 111.83 170.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -137.48 -140.83 0.15 Allowed 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 162.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -163.68 -50.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 128.936 2.894 . . . . 0.0 105.889 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 m -174.71 171.63 3.17 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 131.177 3.791 . . . . 0.0 105.004 160.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.2 t -136.38 -59.02 0.74 Allowed 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 123.66 0.784 . . . . 0.0 109.104 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.4 mtp -145.48 -58.16 0.33 Allowed 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 104.721 -2.325 . . . . 0.0 104.721 163.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.437 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.035 145.816 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.6 mmm . . . . . 0 N--CA 1.473 0.686 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.17 19.08 0.1 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.923 1.082 . . . . 0.0 113.923 -171.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.5 mtt -61.8 -46.12 90.93 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 167.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.22 -48.89 75.57 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.8 ttp -59.39 -57.64 12.09 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.506 0.722 . . . . 0.0 110.266 -177.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -46.0 92.34 Favored 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.894 -175.032 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 65.2 m -52.78 -59.45 4.48 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.946 0.498 . . . . 0.0 110.997 175.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 t -62.93 -39.98 96.25 Favored 'General case' 0 C--N 1.339 0.11 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -173.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -61.48 -54.13 47.33 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.26 -47.49 75.39 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.278 0.631 . . . . 0.0 110.387 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.69 -55.34 30.81 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -55.37 -47.48 75.73 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.015 0.37 . . . . 0.0 110.965 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.8 t -56.33 -49.32 77.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.042 0.537 . . . . 0.0 110.732 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.21 -41.71 99.57 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 174.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.02 58.78 4.9 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.669 1.188 . . . . 0.0 110.399 -170.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . 27.3 tptp -149.09 -61.44 0.02 OUTLIER Pre-proline 0 N--CA 1.451 -0.407 0 C-N-CA 126.725 2.01 . . . . 0.0 107.702 167.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.477 ' HD3' ' HB3' ' A' ' 16' ' ' LYS . 82.5 Cg_exo -40.22 -59.52 0.71 Allowed 'Trans proline' 0 N--CA 1.449 -1.098 1 C-N-CA 126.128 4.552 . . . . 0.0 112.114 158.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.46 40.78 0.37 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 113.888 -1.505 . . . . 0.0 111.3 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.3 t -148.03 -54.37 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 C-N-CA 125.73 1.612 . . . . 0.0 108.101 174.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 70.62 -53.55 0.66 Allowed 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 129.941 3.296 . . . . 0.0 111.263 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.3 59.02 0.5 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 106.456 -2.658 . . . . 0.0 106.456 -162.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.41 60.18 1.54 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.812 1.245 . . . . 0.0 112.219 -165.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.552 ' HB3' ' CD ' ' A' ' 24' ' ' PRO . 9.7 tpp85 -87.94 -82.74 0.03 OUTLIER Pre-proline 0 CA--C 1.539 0.538 0 C-N-CA 124.099 0.96 . . . . 0.0 108.482 170.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.552 ' CD ' ' HB3' ' A' ' 23' ' ' ARG . 21.3 Cg_endo -65.51 113.48 2.51 Favored 'Trans proline' 0 N--CA 1.436 -1.868 0 C-N-CA 124.608 3.539 . . . . 0.0 109.904 177.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -168.27 167.52 12.08 Favored 'General case' 0 C--N 1.314 -0.961 0 C-N-CA 129.154 2.981 . . . . 0.0 106.912 -177.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -71.68 69.68 0.66 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.082 0.953 . . . . 0.0 112.347 -172.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -72.33 -50.43 26.88 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-O 122.97 1.367 . . . . 0.0 109.18 170.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.9 ptm -112.27 -97.15 0.43 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 103.947 -2.612 . . . . 0.0 103.947 151.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.2 t -81.08 -147.57 0.06 Allowed 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 138.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.9 p -68.07 179.6 1.48 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 154.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -146.62 -55.89 0.26 Allowed 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 175.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 C-N-CA 126.835 2.054 . . . . 0.0 105.459 172.748 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.1 -2.69 5.91 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -169.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -43.6 70.37 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 124.433 1.093 . . . . 0.0 108.833 164.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.46 -48.27 82.29 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.708 0.403 . . . . 0.0 110.173 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 16.3 tpt -60.63 -49.8 76.07 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.981 0.513 . . . . 0.0 109.797 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 56.1 ttt85 -51.74 -51.69 54.25 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.898 0.479 . . . . 0.0 109.941 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.9 m -59.9 -52.04 67.11 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.184 0.594 . . . . 0.0 110.548 -177.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -42.81 99.46 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -59.39 -47.78 84.12 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 122.022 -0.424 . . . . 0.0 109.901 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.91 -48.06 83.24 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.562 0.345 . . . . 0.0 110.943 176.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.24 83.84 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.514 0.725 . . . . 0.0 111.442 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 68.7 mtp85 -74.39 -71.48 0.34 Allowed 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 125.245 1.418 . . . . 0.0 110.463 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 p 32.49 -108.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 125.843 1.657 . . . . 0.0 109.462 -152.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.9 54.67 3.44 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-N 120.267 1.394 . . . . 0.0 111.071 172.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 18.95 64.41 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 128.593 2.757 . . . . 0.0 113.497 -167.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.551 ' HB3' ' HD3' ' A' ' 17' ' ' PRO 0.295 39.7 ttmt -133.24 -78.31 0.01 OUTLIER Pre-proline 0 CA--C 1.542 0.657 0 CA-C-O 118.028 -0.987 . . . . 0.0 113.56 -171.089 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.551 ' HD3' ' HB3' ' A' ' 16' ' ' LYS . 11.3 Cg_exo -28.68 -66.49 0.06 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.772 1 C-N-CA 128.016 5.811 . . . . 0.0 116.385 -169.837 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.72 49.95 1.11 Allowed 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.23 -1.35 . . . . 0.0 109.603 175.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 77.3 t -127.03 -54.94 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 C-N-CA 125.511 1.525 . . . . 0.0 108.881 167.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -28.74 -66.88 0.08 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 129.532 3.133 . . . . 0.0 111.513 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.05 24.23 16.93 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 123.966 0.794 . . . . 0.0 112.464 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.67 75.73 2.66 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 117.908 0.854 . . . . 0.0 111.014 -172.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.616 ' HB2' ' HD3' ' A' ' 24' ' ' PRO 0.263 0.0 OUTLIER -133.22 -83.28 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.42 0 C-N-CA 123.884 0.873 . . . . 0.0 108.805 165.449 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.616 ' HD3' ' HB2' ' A' ' 23' ' ' ARG . 27.5 Cg_endo -81.9 -173.53 1.8 Allowed 'Trans proline' 0 N--CA 1.438 -1.743 1 C-N-CA 126.335 4.69 . . . . 0.0 109.643 173.811 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.89 41.85 3.19 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 126.569 1.947 . . . . 0.0 107.933 170.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.5 p -174.99 85.75 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.1 0.96 . . . . 0.0 109.088 -167.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.421 ' HB2' HH11 ' A' ' 27' ' ' ARG . 0.0 OUTLIER -107.12 -124.76 0.24 Allowed 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 165.191 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.7 ptp -57.77 -46.03 85.11 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 123.272 0.629 . . . . 0.0 110.088 174.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.9 p -121.82 -167.83 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 124.98 1.312 . . . . 0.0 109.217 167.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 44.2 t -69.08 -57.58 5.23 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.587 0.708 . . . . 0.0 109.726 172.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 58.4 ttm -76.54 -57.85 3.62 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.638 -174.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 116.753 -1.594 . . . . 0.0 107.337 176.404 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.5 ptt? . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 118.817 -0.611 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.44 -9.06 22.28 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -169.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.0 tpt -51.95 -37.05 51.42 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 123.703 0.801 . . . . 0.0 109.734 167.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.29 -48.9 73.39 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.35 0.26 . . . . 0.0 110.513 174.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.3 mmt -66.39 -46.12 77.71 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.8 mtp85 -53.09 -46.87 68.84 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 175.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.4 m -64.91 -48.77 72.98 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.082 0.553 . . . . 0.0 110.421 -178.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -44.5 90.27 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -62.47 -48.73 78.33 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 122.954 0.501 . . . . 0.0 109.935 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.83 -42.9 68.97 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.859 0.464 . . . . 0.0 110.308 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.65 -46.4 90.45 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 119.298 -0.382 . . . . 0.0 110.608 175.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.4 mmt-85 -55.43 -52.36 63.84 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 118.768 0.713 . . . . 0.0 110.2 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.8 t -55.31 -47.24 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.37 -27.8 18.1 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 123.862 0.744 . . . . 0.0 112.729 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.29 24.19 13.23 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.028 0.931 . . . . 0.0 112.153 -177.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.505 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 32.0 mmtm -96.82 -88.19 0.0 OUTLIER Pre-proline 0 CA--C 1.543 0.704 0 CA-C-O 118.774 -0.631 . . . . 0.0 111.918 177.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 16' ' ' LYS . 35.9 Cg_endo -58.87 126.93 22.57 Favored 'Trans proline' 0 N--CA 1.438 -1.759 1 C-N-CA 126.365 4.71 . . . . 0.0 109.116 -175.087 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 59.11 22.02 10.08 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 128.055 2.542 . . . . 0.0 112.647 -175.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.2 t -129.73 -115.16 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 176.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.3 -43.24 53.49 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.266 1.027 . . . . 0.0 108.823 176.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -37.06 -47.68 1.37 Allowed Glycine 0 CA--C 1.528 0.863 0 C-N-CA 125.783 1.659 . . . . 0.0 112.818 171.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.68 55.07 1.93 Allowed 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.373 1.069 . . . . 0.0 112.063 -174.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.544 ' CB ' ' CD ' ' A' ' 24' ' ' PRO 0.263 2.5 tpm_? -114.87 -82.71 0.0 OUTLIER Pre-proline 0 N--CA 1.451 -0.385 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 165.041 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 42.7 Cg_endo -75.3 -152.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.321 1 C-N-CA 125.71 4.273 . . . . 0.0 108.343 169.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.65 -20.16 66.19 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -169.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 p -75.61 43.0 0.24 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.033 1.333 . . . . 0.0 113.913 -164.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.9 mtt85 -64.46 -48.62 74.58 Favored 'General case' 0 CA--C 1.519 -0.241 0 O-C-N 121.031 -1.043 . . . . 0.0 111.453 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.9 tpt 63.52 -68.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 129.088 2.955 . . . . 0.0 108.542 -169.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.6 m 71.97 161.94 0.25 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 126.973 2.109 . . . . 0.0 112.262 175.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 48.9 t -134.14 -43.79 0.79 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 127.493 2.317 . . . . 0.0 109.765 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 28.1 ttt -147.14 -59.09 0.27 Allowed 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 125.471 1.509 . . . . 0.0 106.978 176.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.417 0 N-CA-C 106.34 -1.726 . . . . 0.0 106.34 142.165 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.03 -6.62 9.12 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -176.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.7 mtp -48.84 -45.65 41.02 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 125.17 1.388 . . . . 0.0 109.779 163.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.26 -48.81 79.71 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.607 0.363 . . . . 0.0 110.278 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -48.19 82.81 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.282 0.633 . . . . 0.0 109.593 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -53.86 -53.35 53.79 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 122.846 0.458 . . . . 0.0 109.934 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.1 m -57.07 -52.88 63.5 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.367 -177.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.94 -41.62 99.55 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -177.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -62.2 -40.43 96.06 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.86 92.24 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.871 0.759 . . . . 0.0 110.81 174.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.1 99.39 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.898 -0.501 . . . . 0.0 110.842 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -60.42 -70.56 0.17 Allowed 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.111 0.564 . . . . 0.0 109.592 169.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.7 m 31.13 -121.77 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 125.067 1.347 . . . . 0.0 109.085 -144.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.37 49.03 2.93 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-N 120.619 1.554 . . . . 0.0 111.768 173.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 34.84 73.88 0.07 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 127.413 2.285 . . . . 0.0 111.811 -168.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' CB ' ' HD3' ' A' ' 17' ' ' PRO 0.269 57.0 mttm -120.74 -71.09 0.02 OUTLIER Pre-proline 0 CA--C 1.544 0.717 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -179.258 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.433 ' HD3' ' CB ' ' A' ' 16' ' ' LYS . 32.8 Cg_exo -46.39 -53.83 5.5 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 124.84 3.693 . . . . 0.0 112.008 177.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.49 26.38 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 126.033 1.733 . . . . 0.0 113.13 175.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.5 t -137.01 -58.74 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 C-N-CA 125.493 1.517 . . . . 0.0 108.428 174.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 47.3 mtm105 -53.28 -43.62 67.61 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 113.253 -1.794 . . . . 0.0 110.043 173.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.67 22.52 35.22 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 118.98 -0.9 . . . . 0.0 112.447 175.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -158.88 44.21 0.27 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.053 1.426 . . . . 0.0 110.989 -176.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.541 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.9 tpm_? -155.03 -73.12 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 171.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 16.1 Cg_endo -77.39 -154.52 0.05 OUTLIER 'Trans proline' 0 N--CA 1.438 -1.784 0 C-N-CA 124.79 3.66 . . . . 0.0 105.992 146.155 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.97 96.62 2.99 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 123.676 0.79 . . . . 0.0 109.163 175.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 m -18.99 116.15 0.02 OUTLIER 'General case' 0 C--O 1.231 0.117 0 C-N-CA 126.776 2.03 . . . . 0.0 113.916 168.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 85.28 -55.03 0.09 Allowed 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 125.99 1.716 . . . . 0.0 110.731 166.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.3 tpt -56.82 -69.61 0.15 Allowed 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 127.487 2.315 . . . . 0.0 109.782 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.3 p -70.0 -49.45 51.38 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 122.814 1.292 . . . . 0.0 111.423 -176.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.9 p 176.44 -172.36 0.09 Allowed 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 128.838 2.855 . . . . 0.0 108.052 -166.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 36.3 ttm 56.94 -134.43 1.25 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.551 1.14 . . . . 0.0 109.103 176.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.201 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 -178.861 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.6 mmt . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.72 133.95 51.23 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 165.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 60.9 ttm -50.6 -37.13 38.35 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 174.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.4 93.85 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.994 0.917 . . . . 0.0 110.663 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.5 tmm? -65.29 -52.67 52.62 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -54.18 -52.8 60.03 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 119.687 -0.197 . . . . 0.0 111.449 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.2 p -60.6 -57.88 10.82 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 122.8 0.44 . . . . 0.0 110.596 -176.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.93 -45.64 78.72 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -177.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -58.77 -53.41 58.72 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 121.962 -0.461 . . . . 0.0 110.077 -178.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.14 -43.72 74.45 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.674 0.39 . . . . 0.0 110.939 177.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.78 -53.9 52.93 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 122.168 -0.332 . . . . 0.0 110.358 176.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -60.24 -42.41 95.2 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 124.69 1.196 . . . . 0.0 111.468 -177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.2 t -48.05 -55.52 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 123.768 0.827 . . . . 0.0 110.243 176.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.24 -26.11 64.66 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 176.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 49.59 37.51 12.71 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 126.438 1.895 . . . . 0.0 109.268 -160.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.485 ' H ' ' HD2' ' A' ' 17' ' ' PRO . 1.1 mmpt? -141.21 -58.24 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -163.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.485 ' HD2' ' H ' ' A' ' 16' ' ' LYS . 86.3 Cg_exo -39.59 -64.49 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 1 C-N-CA 125.868 4.378 . . . . 0.0 113.723 -175.476 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.84 17.77 2.23 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 113.172 -1.831 . . . . 0.0 112.445 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.9 t -102.68 -50.46 9.74 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 C-N-CA 124.563 1.145 . . . . 0.0 108.323 167.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.6 mtt85 -54.02 -63.11 1.26 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 113.493 -1.685 . . . . 0.0 108.375 168.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.69 57.95 1.11 Allowed Glycine 0 C--N 1.336 0.549 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.91 7.06 22.39 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.605 ' HB2' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -68.68 -76.23 0.11 Allowed Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 124.199 0.999 . . . . 0.0 111.33 179.694 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.605 ' HD3' ' HB2' ' A' ' 23' ' ' ARG . 85.1 Cg_endo -72.25 -171.17 0.66 Allowed 'Trans proline' 0 N--CA 1.439 -1.697 1 C-N-CA 126.38 4.72 . . . . 0.0 110.112 176.487 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.33 49.05 1.36 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 113.894 -1.503 . . . . 0.0 111.803 -164.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.7 m -72.97 57.92 0.46 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.941 1.296 . . . . 0.0 110.263 177.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.5 mtt85 -155.78 -51.16 0.08 Allowed 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 127.446 2.298 . . . . 0.0 108.518 -164.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.9 tpt -69.55 -76.87 0.09 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 112.36 -2.2 . . . . 0.0 105.676 153.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.5 t -173.09 154.91 2.88 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.672 1.189 . . . . 0.0 108.135 156.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 38.5 t -170.66 -80.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 125.736 1.614 . . . . 0.0 109.45 167.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 57.0 tpp -71.26 -38.78 71.86 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 177.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.303 0 N-CA-C 103.29 -2.855 . . . . 0.0 103.29 156.491 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.92 54.25 1.84 Allowed 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.597 1.159 . . . . 0.0 110.243 -175.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.3 ttt -53.88 -29.97 43.94 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 168.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.2 85.83 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.155 0.582 . . . . 0.0 110.473 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -61.5 -53.72 52.66 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 83.2 mmt-85 -51.98 -47.18 64.99 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.514 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.8 m -60.72 -55.25 35.46 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.223 0.609 . . . . 0.0 111.076 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.79 -44.49 96.76 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -176.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -54.7 -55.48 29.29 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.771 0.828 . . . . 0.0 109.43 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.72 -37.88 74.33 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.064 0.546 . . . . 0.0 111.777 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -27.98 65.19 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 118.978 -0.534 . . . . 0.0 112.04 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -98.79 -54.5 2.99 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 118.547 0.612 . . . . 0.0 111.847 -176.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.6 t -66.14 154.11 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.49 -56.8 2.48 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -173.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.27 52.48 0.76 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.155 1.782 . . . . 0.0 111.747 -174.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -170.29 -64.35 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.365 0 C-N-CA 128.44 2.696 . . . . 0.0 106.169 -177.764 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' CD ' ' CB ' ' A' ' 16' ' ' LYS . 69.5 Cg_exo -36.08 -56.97 0.59 Allowed 'Trans proline' 0 N--CA 1.45 -1.039 1 C-N-CA 126.092 4.528 . . . . 0.0 113.766 162.89 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.1 7.2 19.5 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 113.655 -1.611 . . . . 0.0 113.266 -176.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.9 t -116.02 5.8 7.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 125.759 1.624 . . . . 0.0 110.689 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -53.18 142.9 19.41 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 121.873 0.844 . . . . 0.0 111.037 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.09 -27.65 8.1 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-N 114.084 -1.417 . . . . 0.0 112.003 -168.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 76.47 144.69 0.08 Allowed 'General case' 0 C--N 1.342 0.264 0 C-N-CA 126.654 1.982 . . . . 0.0 109.816 -173.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.621 ' HB2' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -157.14 -72.19 0.02 OUTLIER Pre-proline 0 N--CA 1.454 -0.254 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 -177.27 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.621 ' HD3' ' HB2' ' A' ' 23' ' ' ARG . 10.9 Cg_endo -80.87 -164.67 0.29 Allowed 'Trans proline' 0 N--CA 1.431 -2.152 1 C-N-CA 125.472 4.115 . . . . 0.0 106.881 147.214 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.68 132.71 24.4 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 126.882 2.073 . . . . 0.0 106.607 168.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 m -76.37 43.75 0.32 Allowed 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -163.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -42.44 81.74 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-O 122.454 1.121 . . . . 0.0 109.8 165.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.02 -63.24 0.08 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 112.704 -2.044 . . . . 0.0 109.475 174.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 m -168.08 171.02 9.9 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 127.288 2.235 . . . . 0.0 107.145 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 p 51.15 -168.03 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.604 1.562 . . . . 0.0 110.813 -168.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.7 ptt? -139.55 134.62 32.43 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 165.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.429 0 C-N-CA 127.585 2.354 . . . . 0.0 105.391 -174.848 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 mmt . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.19 61.02 3.88 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.564 1.146 . . . . 0.0 110.13 -173.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 61.6 ttp -52.18 -34.15 43.9 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 163.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.61 -54.75 42.89 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.804 0.441 . . . . 0.0 109.98 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 42.6 tpp -60.7 -49.92 75.57 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.986 0.514 . . . . 0.0 109.629 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -54.64 -47.35 73.61 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.592 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.9 m -63.44 -49.39 73.87 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.642 0.377 . . . . 0.0 110.75 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.62 -42.68 97.34 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 -178.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -61.42 -48.62 80.38 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.776 -0.578 . . . . 0.0 109.989 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.0 -43.1 69.77 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 122.266 -0.271 . . . . 0.0 110.389 175.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.75 -49.2 78.46 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.845 -0.598 . . . . 0.0 110.678 175.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? -52.95 -46.88 68.36 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 119.305 0.957 . . . . 0.0 110.416 176.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.2 t -60.7 -51.69 70.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 122.636 0.374 . . . . 0.0 110.318 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.57 -36.78 65.31 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 176.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.52 51.38 1.24 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.664 1.185 . . . . 0.0 110.467 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.451 ' HB2' ' CD ' ' A' ' 17' ' ' PRO . 58.3 mttp -136.44 -65.39 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.628 0 C-N-CA 126.794 2.038 . . . . 0.0 106.863 171.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.451 ' CD ' ' HB2' ' A' ' 16' ' ' LYS . 95.8 Cg_exo -41.01 -52.79 3.22 Favored 'Trans proline' 0 N--CA 1.451 -0.974 1 C-N-CA 126.338 4.692 . . . . 0.0 112.839 159.584 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.07 24.21 0.96 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 113.504 -1.68 . . . . 0.0 112.119 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.0 t -119.24 -59.06 2.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 C-N-CA 125.103 1.361 . . . . 0.0 107.848 165.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? 64.11 -68.06 0.1 Allowed 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 129.521 3.128 . . . . 0.0 110.05 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -150.78 17.7 0.96 Allowed Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.23 0.919 . . . . 0.0 112.19 174.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.69 164.69 24.38 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 117.713 0.756 . . . . 0.0 109.986 175.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.553 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 3.4 tpm_? -67.58 -71.2 0.34 Allowed Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.553 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 40.1 Cg_endo -80.47 -144.71 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.261 1 C-N-CA 126.142 4.562 . . . . 0.0 107.829 166.825 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.46 165.04 12.72 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.471 -0.768 . . . . 0.0 110.296 170.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 m -71.0 62.78 0.3 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.029 1.332 . . . . 0.0 111.185 176.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.1 ptt-85 -61.49 -39.56 91.4 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 124.984 1.314 . . . . 0.0 112.692 -176.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 17.9 ttm 178.83 -61.65 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 129.48 3.112 . . . . 0.0 106.682 -172.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.0 m 73.1 163.19 0.27 Allowed 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 127.544 2.338 . . . . 0.0 111.598 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 38.7 t -146.88 -79.39 0.16 Allowed 'General case' 0 C--O 1.227 -0.088 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.22 174.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -67.79 -42.52 81.52 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 166.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.325 0 C-N-CA 128.421 2.689 . . . . 0.0 103.939 171.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.4 mmm . . . . . 0 N--CA 1.472 0.662 0 N-CA-C 107.807 -1.182 . . . . 0.0 107.807 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.71 78.0 2.67 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -46.9 -30.42 2.52 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.446 166.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.53 -46.93 83.75 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 122.992 0.517 . . . . 0.0 110.193 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 37.2 ttm -63.11 -47.14 84.09 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -56.37 -45.12 80.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.803 177.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -58.86 -54.11 50.79 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.554 0.742 . . . . 0.0 109.715 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.89 -48.66 80.8 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.492 ' O ' HG13 ' A' ' 13' ' ' VAL . 60.9 t80 -52.79 -52.02 58.43 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.892 1.277 . . . . 0.0 109.934 -173.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.75 -33.27 55.2 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.676 0.79 . . . . 0.0 112.504 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.79 -48.35 14.98 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.95 0.881 . . . . 0.0 109.649 173.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -59.7 -28.71 67.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.509 1.923 . . . . 0.0 112.2 -172.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 9' ' ' PHE . 29.9 m -34.23 -46.6 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 125.79 1.636 . . . . 0.0 113.159 -178.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.32 36.01 1.77 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 109.915 -1.274 . . . . 0.0 109.915 168.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 42.96 48.23 5.06 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.633 1.573 . . . . 0.0 110.469 -172.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.497 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . 56.6 tttm -32.3 -60.13 0.36 Allowed Pre-proline 0 CA--C 1.539 0.521 0 C-N-CA 126.847 2.059 . . . . 0.0 114.026 -173.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.497 ' HD3' ' HB3' ' A' ' 16' ' ' LYS . 20.2 Cg_exo -36.92 -44.05 1.05 Allowed 'Trans proline' 0 N--CA 1.454 -0.834 1 C-N-CA 126.738 4.959 . . . . 0.0 116.264 175.181 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.67 -19.41 52.58 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 113.29 -1.777 . . . . 0.0 113.795 -173.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.7 m -116.13 -41.63 3.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -173.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 61.45 -69.16 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 129.284 3.033 . . . . 0.0 111.404 176.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.33 26.02 2.84 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 124.624 1.107 . . . . 0.0 110.99 173.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 55.52 -158.93 0.21 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.175 1.39 . . . . 0.0 109.351 -166.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.569 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -158.99 -69.65 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.242 0 O-C-N 121.872 -0.518 . . . . 0.0 110.218 -168.074 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.569 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 89.4 Cg_endo -75.59 -154.03 0.04 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.535 1 C-N-CA 125.909 4.406 . . . . 0.0 108.843 169.158 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 66.79 -67.96 0.15 Allowed 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 127.377 2.271 . . . . 0.0 109.079 -166.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m 176.16 72.24 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 128.095 2.558 . . . . 0.0 107.182 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -135.2 -82.91 0.42 Allowed 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 122.069 0.938 . . . . 0.0 110.009 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 12.3 ttt -82.12 -66.72 0.85 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 113.842 -1.526 . . . . 0.0 107.259 168.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.9 p -101.44 -159.64 0.74 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.048 1.339 . . . . 0.0 108.647 171.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.7 p -132.65 -135.36 0.18 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.774 1.229 . . . . 0.0 109.284 -166.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -47.98 -35.66 11.25 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.735 1.152 . . . . 0.0 110.797 175.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.34 0 N-CA-C 105.372 -2.085 . . . . 0.0 105.372 155.962 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 mmt . . . . . 0 N--CA 1.471 0.596 0 CA-C-O 118.322 -0.847 . . . . 0.0 108.724 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.12 -130.11 0.09 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.758 1.223 . . . . 0.0 109.917 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.8 tmm? -39.59 -47.93 2.0 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 127.463 2.305 . . . . 0.0 112.487 -175.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.81 -45.77 74.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.552 0.341 . . . . 0.0 111.23 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.8 ttt -69.15 -44.25 72.69 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.037 0.535 . . . . 0.0 109.606 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.3 mmp_? -51.46 -49.19 62.23 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.6 m -63.6 -52.19 62.01 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.798 0.839 . . . . 0.0 110.72 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.28 -44.65 84.19 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -178.37 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -60.97 -51.4 69.42 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 122.076 -0.39 . . . . 0.0 110.147 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.87 -26.91 64.69 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.037 0.935 . . . . 0.0 111.922 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.86 -62.44 1.54 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.277 0.489 . . . . 0.0 110.185 169.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.8 mtt-85 -57.85 -39.87 78.74 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 124.809 1.244 . . . . 0.0 112.348 -169.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.9 p -51.86 -44.05 36.47 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 C-N-CA 123.331 0.653 . . . . 0.0 110.66 -177.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.88 -36.17 10.56 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.453 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 53.65 42.55 31.83 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.027 1.331 . . . . 0.0 109.153 -169.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -156.35 -71.36 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.472 0 C-N-CA 125.223 1.409 . . . . 0.0 112.454 -163.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -60.84 -79.42 0.01 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 125.015 3.81 . . . . 0.0 111.655 -164.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.1 46.95 0.33 Allowed 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 123.813 0.845 . . . . 0.0 110.398 170.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.7 t -135.46 -76.65 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 172.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -60.25 -46.7 88.9 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 113.608 -1.633 . . . . 0.0 108.888 172.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.16 33.77 5.07 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.098 0.856 . . . . 0.0 111.49 172.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.1 103.37 0.95 Allowed 'General case' 0 C--N 1.341 0.204 0 CA-C-N 118.927 1.363 . . . . 0.0 109.546 174.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.566 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -162.62 -71.68 0.01 OUTLIER Pre-proline 0 CA--C 1.53 0.204 0 C-N-CA 125.602 1.561 . . . . 0.0 107.613 171.245 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 56.2 Cg_endo -77.7 -162.32 0.17 Allowed 'Trans proline' 0 N--CA 1.44 -1.648 1 C-N-CA 125.958 4.439 . . . . 0.0 108.31 165.362 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.72 -175.78 1.79 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.878 0.871 . . . . 0.0 109.929 172.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -57.32 99.11 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.363 0.665 . . . . 0.0 111.574 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -88.25 -127.27 0.06 Allowed 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 126.089 1.755 . . . . 0.0 107.223 171.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.9 tpt -105.51 -75.68 0.62 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 124.837 1.255 . . . . 0.0 109.578 -174.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.7 m -171.73 179.05 2.9 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 129.018 2.927 . . . . 0.0 104.984 176.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.0 t -60.84 146.2 47.22 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 118.643 0.656 . . . . 0.0 110.474 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -167.0 -62.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 128.028 2.531 . . . . 0.0 104.882 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.453 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 142.689 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.9 mmt . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.29 36.59 0.24 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.575 1.15 . . . . 0.0 111.812 -174.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 83.2 mtp -56.44 -35.92 68.41 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.843 0.857 . . . . 0.0 108.725 170.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.35 -53.97 46.72 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.933 174.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 10.4 ttt -59.76 -45.66 91.57 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 123.112 0.565 . . . . 0.0 109.73 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -59.81 -40.3 87.91 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.3 m -66.83 -49.3 66.18 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -44.06 -52.85 6.83 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 124.116 0.966 . . . . 0.0 109.852 166.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -62.62 -50.18 72.26 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.855 0.862 . . . . 0.0 109.593 -172.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.6 -50.0 66.57 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.061 0.544 . . . . 0.0 110.363 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.93 -50.83 72.03 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 178.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -48.99 71.43 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.724 1.209 . . . . 0.0 109.636 -179.32 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.0 t -60.21 -50.79 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 123.542 0.737 . . . . 0.0 110.401 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.17 -36.19 67.51 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 175.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.45 54.47 2.05 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.48 1.112 . . . . 0.0 110.006 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 9.3 mtmp? -136.98 -66.69 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.456 0 C-N-CA 126.124 1.77 . . . . 0.0 107.912 171.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.407 ' CD ' ' CB ' ' A' ' 16' ' ' LYS . 95.7 Cg_exo -39.71 -56.02 1.48 Allowed 'Trans proline' 0 N--CA 1.452 -0.968 1 C-N-CA 126.044 4.496 . . . . 0.0 112.385 163.401 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.98 13.84 0.98 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 112.873 -1.967 . . . . 0.0 113.045 -178.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 72.7 t -133.03 0.23 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 125.526 1.53 . . . . 0.0 111.518 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.4 mtp-105 -43.73 -46.09 7.41 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 125.905 1.682 . . . . 0.0 112.906 -173.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.11 -51.92 33.49 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.622 -0.591 . . . . 0.0 111.622 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.69 63.7 6.95 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.556 ' CB ' ' CD ' ' A' ' 24' ' ' PRO 0.264 0.4 OUTLIER -70.13 -78.34 0.06 OUTLIER Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 170.243 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.556 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 50.6 Cg_endo -77.92 -158.96 0.09 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.478 1 C-N-CA 125.98 4.453 . . . . 0.0 108.419 170.298 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 68.56 -61.37 0.41 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 127.36 2.264 . . . . 0.0 112.693 171.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.8 p -130.7 21.84 5.05 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.287 1.035 . . . . 0.0 111.717 -175.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 37.2 ttt-85 -154.16 -136.46 0.06 Allowed 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 104.881 -2.266 . . . . 0.0 104.881 171.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.6 -52.92 1.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 124.282 1.033 . . . . 0.0 109.809 173.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.2 p -156.37 -159.78 0.92 Allowed 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.794 1.637 . . . . 0.0 107.146 174.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.1 t -103.61 -61.37 1.43 Allowed 'General case' 0 C--O 1.23 0.067 0 CA-C-N 118.965 0.802 . . . . 0.0 109.921 -172.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 29.0 ttm -153.75 -53.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 126.357 1.863 . . . . 0.0 106.38 -175.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.449 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 137.646 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.23 24.12 0.06 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.888 1.222 . . . . 0.0 113.851 -170.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -41.21 72.65 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 168.403 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.63 -49.28 73.27 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.953 0.501 . . . . 0.0 110.247 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 45.9 ttp -59.8 -49.87 76.04 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.506 0.722 . . . . 0.0 109.697 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.415 HH22 ' CB ' ' A' ' 29' ' ' SER . 6.6 mmp_? -59.35 -37.46 77.91 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.955 -0.466 . . . . 0.0 112.037 178.181 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.9 m -65.02 -48.12 75.02 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -47.48 -51.09 21.55 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.906 0.883 . . . . 0.0 109.349 170.403 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -62.73 -52.03 64.83 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -173.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.5 -50.71 62.24 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.019 0.527 . . . . 0.0 110.676 176.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.65 -49.48 76.33 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.394 0.278 . . . . 0.0 110.829 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -63.73 -43.58 96.1 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.058 0.543 . . . . 0.0 111.273 -177.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.3 t -57.92 -46.47 87.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 173.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.96 48.33 2.01 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 118.408 0.549 . . . . 0.0 111.99 173.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.12 -123.36 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 128.014 2.526 . . . . 0.0 104.944 -174.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -147.87 156.1 44.33 Favored Pre-proline 0 N--CA 1.434 -1.261 0 N-CA-C 104.834 -2.284 . . . . 0.0 104.834 144.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -80.63 -93.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.508 1 C-N-CA 127.317 5.345 . . . . 0.0 105.976 148.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.48 144.64 50.79 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 101.608 -3.478 . . . . 0.0 101.608 139.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 m -76.41 94.23 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 124.162 1.934 . . . . 0.0 110.136 -145.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.24 -77.46 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 131.598 3.959 . . . . 0.0 111.221 173.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.06 -43.68 72.99 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.12 61.0 2.56 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.325 0.65 . . . . 0.0 112.219 -171.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.548 ' CB ' ' CD ' ' A' ' 24' ' ' PRO 0.252 1.1 ptt85 -153.2 -78.22 0.01 OUTLIER Pre-proline 0 CA--C 1.54 0.581 0 CA-C-N 118.34 0.518 . . . . 0.0 111.283 165.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.548 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 45.1 Cg_endo -80.63 -159.39 0.11 Allowed 'Trans proline' 0 N--CA 1.445 -1.339 1 C-N-CA 127.224 5.283 . . . . 0.0 109.149 179.593 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.89 62.71 1.13 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.201 1.001 . . . . 0.0 108.812 168.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m 16.04 81.08 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 129.215 3.006 . . . . 0.0 113.434 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.04 -138.35 0.37 Allowed 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 124.026 0.931 . . . . 0.0 108.706 -169.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 22.4 ptm -104.62 -50.68 3.24 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 125.514 1.525 . . . . 0.0 109.826 -176.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.415 ' CB ' HH22 ' A' ' 6' ' ' ARG . 14.2 m -158.24 156.58 30.99 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 126.158 1.783 . . . . 0.0 107.975 171.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 45.1 t -105.22 -52.05 2.91 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 124.894 1.278 . . . . 0.0 107.696 167.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -133.02 -63.5 0.77 Allowed 'General case' 0 CA--C 1.527 0.087 0 N-CA-C 105.731 -1.952 . . . . 0.0 105.731 157.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.843 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 142.291 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.39 -67.02 0.3 Allowed 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 122.415 1.102 . . . . 0.0 112.296 -168.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.6 ttp -51.13 -53.27 35.98 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 113.068 -1.878 . . . . 0.0 109.889 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.15 -52.11 65.54 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.966 0.506 . . . . 0.0 110.36 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.9 mtt -61.7 -45.04 95.7 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 122.765 0.426 . . . . 0.0 110.555 -178.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -58.64 -40.88 84.66 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.938 -0.477 . . . . 0.0 111.281 175.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.9 m -64.56 -48.61 74.38 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.81 -49.77 37.39 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 124.194 0.998 . . . . 0.0 109.19 171.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -62.63 -51.06 68.76 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.68 0.792 . . . . 0.0 109.519 -174.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.48 -52.26 60.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.977 0.511 . . . . 0.0 110.405 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.39 -53.99 51.01 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.96 0.409 . . . . 0.0 110.792 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -53.35 -51.9 60.95 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.919 1.688 . . . . 0.0 109.666 -177.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.9 t -59.12 -56.25 18.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 O-C-N 121.719 -0.613 . . . . 0.0 109.795 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.33 -33.35 16.01 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 123.464 0.554 . . . . 0.0 112.063 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.96 12.32 36.28 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -174.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -58.95 -46.8 99.51 Favored Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 172.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.0 -51.33 11.11 Favored 'Trans proline' 0 N--CA 1.452 -0.946 1 C-N-CA 125.89 4.393 . . . . 0.0 112.031 171.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.09 33.7 0.1 Allowed 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 126.666 1.986 . . . . 0.0 111.964 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.1 t -146.52 -64.17 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 C-N-CA 126.358 1.863 . . . . 0.0 107.127 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.27 -73.47 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 128.643 2.777 . . . . 0.0 110.996 179.171 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.45 -61.01 6.35 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 124.334 0.969 . . . . 0.0 110.928 -173.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.35 63.98 2.64 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.829 0.851 . . . . 0.0 110.22 -174.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.561 ' HB3' ' CD ' ' A' ' 24' ' ' PRO 0.257 7.8 tpp85 -113.57 -79.71 0.01 OUTLIER Pre-proline 0 CA--C 1.541 0.602 0 C-N-CA 125.704 1.601 . . . . 0.0 108.885 -174.703 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.561 ' CD ' ' HB3' ' A' ' 23' ' ' ARG . 41.3 Cg_endo -79.46 -143.77 0.02 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.05 1 C-N-CA 125.778 4.318 . . . . 0.0 108.659 170.019 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.06 -15.61 63.83 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.193 0.997 . . . . 0.0 113.45 -174.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.5 p -74.92 61.4 1.03 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.144 0.978 . . . . 0.0 110.82 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -139.08 -136.73 0.13 Allowed 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 124.635 1.174 . . . . 0.0 108.443 -171.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 45.5 ttp -125.29 -80.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 125.247 1.419 . . . . 0.0 108.878 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.7 t -83.47 -161.01 0.47 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.551 0.691 . . . . 0.0 110.684 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.6 t -58.81 -51.87 68.15 Favored 'General case' 0 N--CA 1.461 0.095 0 C-N-CA 124.312 1.045 . . . . 0.0 111.102 -176.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.7 tpt -144.46 42.24 1.37 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.264 1.026 . . . . 0.0 108.252 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 N-CA-C 104.782 -2.303 . . . . 0.0 104.782 173.901 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 118.898 -0.572 . . . . 0.0 109.699 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -50.26 -51.87 41.03 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 122.59 1.186 . . . . 0.0 112.228 -172.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -52.29 -52.36 53.32 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 112.945 -1.934 . . . . 0.0 109.915 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.38 -43.32 99.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 122.597 0.359 . . . . 0.0 110.324 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 32.1 ttm -57.77 -52.98 63.24 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -58.32 -42.52 86.95 Favored 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 121.941 -0.475 . . . . 0.0 110.702 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.8 m -58.33 -54.45 46.83 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.008 0.367 . . . . 0.0 110.752 177.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.19 -38.11 89.86 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -176.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -62.78 -52.56 62.73 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.39 -48.47 71.53 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 121.824 -0.548 . . . . 0.0 110.017 175.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.93 -53.51 40.29 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.532 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -34.19 69.66 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 122.974 0.51 . . . . 0.0 111.25 -175.268 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 t -52.71 -56.78 5.93 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 C-N-CA 123.913 0.885 . . . . 0.0 108.753 175.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.17 -27.44 68.31 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 176.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 53.28 41.98 32.1 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.591 1.556 . . . . 0.0 107.847 -157.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.449 ' CB ' ' HD3' ' A' ' 17' ' ' PRO . 41.9 mttp -144.6 -72.78 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.547 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 -159.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.449 ' HD3' ' CB ' ' A' ' 16' ' ' LYS . 54.4 Cg_exo -34.34 -61.3 0.23 Allowed 'Trans proline' 0 N--CA 1.459 -0.515 1 C-N-CA 126.839 5.026 . . . . 0.0 116.078 -168.887 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.05 40.12 2.9 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 126.082 1.753 . . . . 0.0 110.113 177.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.1 t -121.83 -56.92 2.91 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.1 0 C-N-CA 125.326 1.45 . . . . 0.0 108.441 174.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.5 mtp85 58.53 -70.6 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 129.671 3.189 . . . . 0.0 112.515 165.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.59 -20.77 10.45 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 125.159 1.362 . . . . 0.0 112.158 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.74 -161.83 0.57 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.532 1.533 . . . . 0.0 110.394 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.584 ' HB2' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -149.0 -72.74 0.02 OUTLIER Pre-proline 0 CA--C 1.53 0.177 0 O-C-N 121.518 -0.739 . . . . 0.0 109.164 162.685 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.584 ' HD3' ' HB2' ' A' ' 23' ' ' ARG . 97.9 Cg_endo -75.12 -149.88 0.03 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.308 1 C-N-CA 125.736 4.291 . . . . 0.0 108.353 169.856 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.75 68.27 2.3 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.357 -0.84 . . . . 0.0 109.477 177.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.5 t 103.8 -144.62 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 129.177 2.991 . . . . 0.0 107.37 -169.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -102.48 -127.43 0.22 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.329 1.451 . . . . 0.0 107.905 168.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.3 ttp -141.94 -69.45 0.36 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 126.2 1.8 . . . . 0.0 106.969 -176.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.0 p -100.57 -151.8 0.41 Allowed 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 163.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 51.8 t -48.44 -44.06 34.99 Favored 'General case' 0 C--O 1.23 0.058 0 CA-C-O 121.537 0.684 . . . . 0.0 110.405 159.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 27.1 ptm -104.73 163.27 12.62 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.868 174.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.936 0 C-N-CA 128.909 2.883 . . . . 0.0 104.144 165.083 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.4 mtm . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.27 20.38 0.09 Allowed 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -169.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.2 tpt -63.98 -43.36 95.96 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 167.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.38 -48.88 75.95 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.728 0.411 . . . . 0.0 110.0 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.7 ttt -59.58 -54.02 51.33 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.516 0.726 . . . . 0.0 110.057 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -54.63 -48.88 71.71 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.367 -0.208 . . . . 0.0 110.467 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.8 m -59.57 -52.35 65.93 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.871 0.468 . . . . 0.0 110.964 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.61 -47.28 86.91 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -177.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -54.95 -50.77 68.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.339 0.655 . . . . 0.0 110.331 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.18 -39.7 69.87 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.653 0.781 . . . . 0.0 111.028 176.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.03 -37.68 81.66 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 117.969 0.349 . . . . 0.0 111.377 175.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -66.3 -52.98 41.91 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 118.837 0.744 . . . . 0.0 109.953 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.3 m -56.37 131.49 19.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -173.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.27 -34.35 4.01 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-O 119.599 -0.556 . . . . 0.0 111.868 -173.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.39 -42.48 25.42 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 118.677 1.239 . . . . 0.0 111.619 177.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 66.5 mmtt -132.61 -76.29 0.01 OUTLIER Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 125.632 1.573 . . . . 0.0 111.938 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' A' ' 16' ' ' LYS . 5.2 Cg_endo -58.08 123.06 12.81 Favored 'Trans proline' 0 N--CA 1.434 -1.996 0 C-N-CA 124.155 3.236 . . . . 0.0 108.846 173.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 79.61 27.22 0.36 Allowed 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 129.303 3.041 . . . . 0.0 112.34 177.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.5 m -124.01 -128.4 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 161.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 58.63 -78.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.924 1.29 . . . . 0.0 108.051 -151.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.33 65.81 3.57 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 108.037 -2.025 . . . . 0.0 108.037 172.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.87 92.29 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.488 1.115 . . . . 0.0 113.807 -162.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.578 ' HB2' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -45.84 -62.74 1.59 Allowed Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 124.578 1.151 . . . . 0.0 111.654 166.611 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.578 ' HD3' ' HB2' ' A' ' 23' ' ' ARG . 4.0 Cg_exo -37.01 -31.49 0.11 Allowed 'Trans proline' 0 N--CA 1.456 -0.698 1 C-N-CA 128.815 6.343 . . . . 0.0 118.223 165.129 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 53.54 -126.05 2.37 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 113.436 -1.711 . . . . 0.0 106.505 -159.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.3 m 53.15 27.65 6.12 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.829 0.852 . . . . 0.0 112.593 169.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -175.22 -145.83 0.03 OUTLIER 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 102.091 -3.3 . . . . 0.0 102.091 -172.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.9 ttp -160.42 -116.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 167.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -152.71 148.95 27.87 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 126.293 1.837 . . . . 0.0 107.339 -173.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.6 p -157.06 -140.58 0.08 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 176.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -47.27 -43.31 22.08 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 119.117 0.871 . . . . 0.0 109.142 169.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.979 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 152.864 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.6 -10.7 28.24 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -171.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.2 ptm -51.84 -37.9 53.78 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 124.023 0.929 . . . . 0.0 110.047 167.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.13 87.62 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.207 -0.308 . . . . 0.0 110.29 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 91.3 mmm -63.42 -45.5 90.67 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -56.74 -46.67 81.23 Favored 'General case' 0 C--N 1.333 -0.142 0 O-C-N 121.926 -0.484 . . . . 0.0 110.43 177.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.8 m -59.78 -50.14 74.98 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.85 0.46 . . . . 0.0 110.378 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.94 -37.95 89.07 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -60.92 -49.13 78.71 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.84 81.94 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.833 0.453 . . . . 0.0 110.068 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.92 -51.8 68.13 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.259 0.224 . . . . 0.0 110.526 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.6 mtp-105 -51.51 -51.09 58.07 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.89 0.476 . . . . 0.0 110.494 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.8 t -58.95 -48.0 87.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 C-N-CA 122.597 0.359 . . . . 0.0 110.804 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.76 -37.7 70.12 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 174.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.15 57.65 3.65 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.58 0.752 . . . . 0.0 110.068 -176.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . 56.9 tptt -146.66 -70.95 0.02 OUTLIER Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 124.734 1.214 . . . . 0.0 111.454 177.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.458 ' HD3' ' HB3' ' A' ' 16' ' ' LYS . 12.2 Cg_endo -63.12 116.44 3.59 Favored 'Trans proline' 0 N--CA 1.439 -1.707 0 C-N-CA 124.692 3.595 . . . . 0.0 109.55 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 66.93 11.0 8.08 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 129.046 2.938 . . . . 0.0 113.14 -173.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.6 t -112.58 -10.97 12.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 125.771 1.628 . . . . 0.0 111.656 175.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.87 -66.0 0.14 Allowed 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 129.058 2.943 . . . . 0.0 110.212 176.188 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.1 79.73 0.07 OUTLIER Glycine 0 N--CA 1.442 -0.942 0 N-CA-C 107.736 -2.146 . . . . 0.0 107.736 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.57 69.21 0.16 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 168.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.622 ' HB2' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -114.42 -69.85 0.02 OUTLIER Pre-proline 0 N--CA 1.453 -0.319 0 N-CA-C 104.89 -2.263 . . . . 0.0 104.89 168.807 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.622 ' HD3' ' HB2' ' A' ' 23' ' ' ARG . 38.1 Cg_endo -77.77 -150.45 0.04 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.426 1 C-N-CA 125.976 4.451 . . . . 0.0 107.548 152.826 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.33 137.16 39.67 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.535 -0.728 . . . . 0.0 110.79 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.5 m -70.08 66.67 0.27 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.116 0.966 . . . . 0.0 111.46 172.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.8 mtp85 -145.4 129.62 17.64 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 104.677 -2.342 . . . . 0.0 104.677 161.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.6 tpt -93.72 -74.03 0.55 Allowed 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 126.71 2.004 . . . . 0.0 109.779 -177.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.4 p -74.53 -68.68 0.51 Allowed 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 123.084 1.421 . . . . 0.0 111.069 -170.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.3 t 167.22 -47.5 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 129.194 2.998 . . . . 0.0 108.245 -162.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.7 ttp -71.86 -48.03 48.74 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.889 0.875 . . . . 0.0 109.069 176.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.295 0 C-N-CA 126.639 1.976 . . . . 0.0 105.894 174.186 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.7 mmm . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.84 37.96 0.31 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.282 1.033 . . . . 0.0 112.296 -171.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.3 tpt -59.91 -32.34 70.67 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 169.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.17 -49.18 72.52 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.679 0.392 . . . . 0.0 110.173 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.5 tpt -62.76 -52.64 62.44 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -51.91 -49.35 63.23 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.1 m -62.01 -53.44 55.57 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.396 0.678 . . . . 0.0 111.005 -178.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.35 -42.15 98.22 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -176.394 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -62.36 -53.02 61.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 123.084 0.554 . . . . 0.0 109.774 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.3 -48.39 71.36 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.031 0.533 . . . . 0.0 110.458 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.07 -52.72 63.25 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -46.85 78.29 Favored 'General case' 0 C--O 1.228 -0.074 0 C-N-CA 122.534 0.333 . . . . 0.0 111.238 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.1 t -58.81 -48.63 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 122.854 0.462 . . . . 0.0 110.317 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.14 -38.38 85.57 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 174.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.32 60.51 3.79 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.551 1.14 . . . . 0.0 109.979 -176.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.503 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . 62.8 tttp -150.69 -67.53 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.47 0 C-N-CA 127.08 2.152 . . . . 0.0 106.898 171.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.503 ' HD3' ' HB3' ' A' ' 16' ' ' LYS . 83.0 Cg_exo -37.22 -55.55 0.94 Allowed 'Trans proline' 0 N--CA 1.451 -0.98 1 C-N-CA 125.853 4.369 . . . . 0.0 112.703 159.417 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.35 19.87 1.79 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 113.485 -1.689 . . . . 0.0 112.797 -178.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.7 t -121.01 -49.53 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 C-N-CA 124.739 1.216 . . . . 0.0 109.749 174.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.6 mtm105 -56.22 -64.26 0.92 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 113.621 -1.627 . . . . 0.0 107.945 165.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.58 67.19 3.57 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 108.429 -1.868 . . . . 0.0 108.429 166.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.03 144.13 9.37 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.535 0.734 . . . . 0.0 111.155 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.569 ' CB ' ' CD ' ' A' ' 24' ' ' PRO 0.294 0.0 OUTLIER -119.49 -83.36 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.752 0 C-N-CA 124.088 0.955 . . . . 0.0 109.65 174.32 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.569 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 37.2 Cg_endo -82.83 -150.15 0.04 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.897 1 C-N-CA 127.048 5.165 . . . . 0.0 109.646 176.904 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.49 75.83 0.1 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.133 0.973 . . . . 0.0 108.602 165.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.8 m -79.68 69.64 6.02 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.33 1.052 . . . . 0.0 111.582 -163.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -89.9 -127.5 0.07 Allowed 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 105.157 -2.164 . . . . 0.0 105.157 159.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.37 -59.58 2.0 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.214 -1.773 . . . . 0.0 106.214 152.274 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 m -161.7 158.19 25.56 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 126.248 1.819 . . . . 0.0 106.606 165.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 45.5 t -107.14 -49.4 3.28 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.763 1.225 . . . . 0.0 108.304 165.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 96.2 mtp -132.92 -63.47 0.77 Allowed 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 105.528 -2.027 . . . . 0.0 105.528 163.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.442 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 141.957 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.1 mmt . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 118.703 -0.665 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.52 -41.83 77.39 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 122.299 1.047 . . . . 0.0 112.708 -172.379 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.8 tpt -61.1 -48.26 82.47 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 113.436 -1.711 . . . . 0.0 109.849 178.43 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.79 -46.09 89.63 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -56.01 -55.94 26.76 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.29 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -49.03 -55.58 11.6 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 123.736 0.814 . . . . 0.0 109.928 177.623 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.9 m -58.52 -51.61 69.13 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.019 0.528 . . . . 0.0 111.355 -176.405 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.12 -41.57 94.76 Favored 'General case' 0 CA--C 1.527 0.076 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -175.838 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -61.81 -50.37 72.58 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.37 -50.22 72.17 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.154 0.582 . . . . 0.0 109.985 177.136 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.7 -48.23 69.75 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.475 0.31 . . . . 0.0 110.567 177.03 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -59.89 -50.23 74.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.853 179.116 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.7 t -52.01 -49.86 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 118.983 0.811 . . . . 0.0 108.934 175.266 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.03 1.77 1.23 Allowed Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.519 1.057 . . . . 0.0 114.794 176.694 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.73 51.69 1.05 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 118.971 1.385 . . . . 0.0 108.828 170.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' CB ' ' CD ' ' A' ' 17' ' ' PRO 0.289 17.7 mmtp -73.85 -71.63 0.21 Allowed Pre-proline 0 C--N 1.344 0.344 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 174.407 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' A' ' 16' ' ' LYS . 58.9 Cg_endo -72.36 -132.61 0.01 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.459 0 C-N-CA 123.493 2.795 . . . . 0.0 105.092 144.714 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.447 ' O ' HG13 ' A' ' 19' ' ' VAL . . . -70.35 -24.18 62.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 120.33 -1.481 . . . . 0.0 113.025 167.117 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 18' ' ' ALA . 4.8 m -164.13 114.89 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 126.093 1.757 . . . . 0.0 110.525 -173.758 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.8 ttm105 57.75 -78.6 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.296 1.838 . . . . 0.0 113.496 164.393 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -154.41 27.08 0.68 Allowed Glycine 0 CA--C 1.53 0.999 0 C-N-CA 124.754 1.169 . . . . 0.0 111.48 -178.666 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.58 -156.22 0.3 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 117.401 0.601 . . . . 0.0 109.676 171.87 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.659 ' HB2' ' HD3' ' A' ' 24' ' ' PRO 0.254 0.0 OUTLIER -116.38 -82.71 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.393 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 167.9 . . . . . . . . 4 4 . 1 . 021 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.659 ' HD3' ' HB2' ' A' ' 23' ' ' ARG . 42.2 Cg_endo -74.86 -169.54 0.64 Allowed 'Trans proline' 0 N--CA 1.438 -1.753 1 C-N-CA 125.759 4.306 . . . . 0.0 108.22 164.577 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.18 53.49 1.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 124.376 1.07 . . . . 0.0 111.695 -169.293 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -76.11 61.81 1.61 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.868 0.867 . . . . 0.0 110.59 -179.682 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -144.38 -127.23 0.08 Allowed 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.816 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.02 -81.57 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 125.841 1.656 . . . . 0.0 106.654 -174.37 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 p -61.47 163.74 6.49 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.767 0.827 . . . . 0.0 109.678 156.895 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.5 t -98.4 -61.19 1.41 Allowed 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.361 1.065 . . . . 0.0 109.428 177.02 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 45.1 ttm -51.62 -32.29 28.41 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.142 1.377 . . . . 0.0 112.651 -173.059 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.158 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 177.268 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.96 81.83 0.93 Allowed 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 173.33 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 70.1 mtm -49.79 -27.31 4.8 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.298 0.639 . . . . 0.0 110.568 170.176 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.21 93.93 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.428 0.691 . . . . 0.0 110.682 175.816 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 27.3 ttt -65.1 -52.25 56.57 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.976 0.91 . . . . 0.0 109.116 -179.403 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -49.39 -53.89 20.18 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 173.066 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.5 m -58.42 -52.68 64.6 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.926 0.491 . . . . 0.0 111.376 -176.684 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.35 -47.84 84.01 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -177.453 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -56.24 -51.06 69.48 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -178.582 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.32 -43.36 74.84 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.932 0.893 . . . . 0.0 111.14 176.882 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.83 -40.51 96.78 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.709 -0.62 . . . . 0.0 111.16 176.422 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -69.89 -47.02 64.17 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.097 0.559 . . . . 0.0 111.29 -175.874 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.1 m -59.25 128.2 19.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 118.743 0.701 . . . . 0.0 110.103 -175.813 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.52 5.16 90.03 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 123.786 0.708 . . . . 0.0 112.83 -174.837 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.88 -42.8 2.81 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 124.989 1.316 . . . . 0.0 112.061 172.826 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' CB ' ' CD ' ' A' ' 17' ' ' PRO 0.266 46.5 mmtt -123.26 -73.76 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.531 0 C-N-CA 125.08 1.352 . . . . 0.0 111.842 174.776 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 16' ' ' LYS . 16.7 Cg_exo -49.38 122.29 8.39 Favored 'Trans proline' 0 N--CA 1.434 -1.987 0 C-N-CA 124.132 3.221 . . . . 0.0 108.305 163.111 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 71.47 27.03 3.12 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 128.863 2.865 . . . . 0.0 112.316 -176.108 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.7 t -135.66 -48.71 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 C-N-CA 124.52 1.128 . . . . 0.0 111.134 172.913 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.8 ttp85 59.68 -74.48 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 128.75 2.82 . . . . 0.0 109.071 -172.175 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.37 47.11 0.32 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 108.05 -2.02 . . . . 0.0 108.05 176.175 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.02 151.49 22.24 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.568 1.147 . . . . 0.0 109.065 170.295 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.601 ' HB2' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -44.1 -67.83 0.33 Allowed Pre-proline 0 CA--C 1.537 0.468 0 C-N-CA 125.632 1.573 . . . . 0.0 112.042 173.26 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.601 ' HD3' ' HB2' ' A' ' 23' ' ' ARG . 22.5 Cg_endo -68.8 110.78 2.44 Favored 'Trans proline' 0 N--CA 1.435 -1.916 0 C-N-CA 124.998 3.799 . . . . 0.0 111.277 178.292 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.21 79.7 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 111.475 -2.602 . . . . 0.0 107.419 163.081 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.9 m -74.32 61.93 0.93 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.289 1.435 . . . . 0.0 112.432 -165.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -93.6 -134.15 0.17 Allowed 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 106.06 -1.829 . . . . 0.0 106.06 158.051 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.3 ptp 164.97 -59.88 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 129.285 3.034 . . . . 0.0 106.759 178.357 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.4 m -157.01 151.62 25.56 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.765 2.026 . . . . 0.0 106.706 167.275 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.8 t -151.81 -51.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 123.663 0.785 . . . . 0.0 110.684 -173.246 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 78.2 mtm -128.93 -60.93 1.07 Allowed 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 172.26 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.428 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 139.054 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.469 0.484 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.44 56.75 3.7 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 165.3 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.7 ttt -74.92 73.96 2.15 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 105.072 -2.195 . . . . 0.0 105.072 175.005 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -36.26 87.92 0.0 OUTLIER 'General case' 0 C--N 1.339 0.115 0 C-N-CA 125.228 1.411 . . . . 0.0 112.205 -134.174 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.7 tpt -39.22 -52.31 1.95 Allowed 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 127.972 2.509 . . . . 0.0 112.749 -168.139 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -55.31 -48.93 73.39 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.014 0.435 . . . . 0.0 111.055 178.455 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 t -64.92 -52.61 55.45 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.925 1.29 . . . . 0.0 108.856 -178.645 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -40.88 -54.69 2.65 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.647 1.979 . . . . 0.0 109.961 169.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -63.83 -54.25 37.97 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -175.271 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.4 -35.58 63.02 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 122.893 0.477 . . . . 0.0 111.947 179.017 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.67 -45.02 63.23 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 122.034 -0.416 . . . . 0.0 111.165 175.895 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.6 mmm-85 -82.61 -24.26 33.97 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -170.704 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.2 m -57.59 146.61 6.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 120.189 1.359 . . . . 0.0 108.714 170.734 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.91 -61.84 2.92 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 -168.283 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.11 46.38 0.4 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.315 1.446 . . . . 0.0 112.147 178.866 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 51.1 mttm -138.35 -63.8 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 128.191 2.597 . . . . 0.0 106.862 167.379 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 16' ' ' LYS . 97.2 Cg_exo -40.81 -62.15 0.41 Allowed 'Trans proline' 0 N--CA 1.45 -1.04 1 C-N-CA 125.892 4.395 . . . . 0.0 113.336 163.139 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.96 41.43 0.66 Allowed 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 125.548 1.539 . . . . 0.0 111.312 -173.516 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.4 p -160.95 -44.34 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-O 123.171 1.462 . . . . 0.0 110.143 173.408 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.7 tpp85 73.24 -55.89 0.67 Allowed 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 128.881 2.873 . . . . 0.0 110.464 174.278 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -48.11 -45.56 26.94 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 178.691 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.44 22.96 1.71 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -177.54 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.526 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 12.4 tpt85 -64.44 -67.49 1.04 Allowed Pre-proline 0 CA--C 1.54 0.579 0 O-C-N 121.64 -0.663 . . . . 0.0 109.363 166.422 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.526 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 1.6 Cg_exo -34.54 -40.91 0.23 Allowed 'Trans proline' 0 N--CA 1.453 -0.91 1 C-N-CA 127.99 5.793 . . . . 0.0 116.138 169.492 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.19 57.77 0.16 Allowed 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 126.068 1.747 . . . . 0.0 111.012 172.653 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -99.43 113.34 25.63 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.94 1.696 . . . . 0.0 106.882 168.175 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.3 mmt-85 -142.69 141.3 31.8 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 103.66 -2.719 . . . . 0.0 103.66 -177.238 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.61 -48.23 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 128.531 2.732 . . . . 0.0 108.04 -178.653 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.3 m -113.16 163.23 15.02 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.465 1.506 . . . . 0.0 110.718 173.656 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.3 m -136.29 -87.28 0.33 Allowed 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 162.788 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 93.6 mtp -66.58 -39.68 88.58 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 168.243 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.235 0 N-CA-C 104.696 -2.335 . . . . 0.0 104.696 168.726 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.49 58.92 2.79 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.371 1.068 . . . . 0.0 109.658 -177.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.9 ttt -55.32 -27.51 47.48 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.651 169.041 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.83 -47.61 82.15 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.622 0.369 . . . . 0.0 110.198 174.254 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 54.5 ttp -64.49 -49.31 71.85 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -179.568 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.7 mtm105 -54.26 -47.98 71.68 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 178.179 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.2 m -62.21 -51.96 65.7 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.122 0.569 . . . . 0.0 110.612 -178.679 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.98 -43.33 95.2 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -178.797 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -58.59 -54.66 44.53 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -179.093 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.29 -49.11 70.38 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 122.662 0.385 . . . . 0.0 110.75 177.215 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.54 -52.92 43.1 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.524 0.73 . . . . 0.0 110.316 179.454 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.4 mtt-85 -68.81 -39.97 79.77 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.524 1.129 . . . . 0.0 111.512 -177.812 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 t -50.67 -54.97 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 123.718 0.807 . . . . 0.0 109.406 174.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.12 -25.37 71.31 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.597 176.835 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 48.73 41.71 18.42 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.552 1.541 . . . . 0.0 108.081 -155.707 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.435 ' CB ' ' HD3' ' A' ' 17' ' ' PRO . 21.5 mmtp -144.03 -72.37 0.02 OUTLIER Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -161.426 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HD3' ' CB ' ' A' ' 16' ' ' LYS . 62.5 Cg_exo -34.63 -56.16 0.48 Allowed 'Trans proline' 0 N--CA 1.458 -0.572 1 C-N-CA 126.45 4.767 . . . . 0.0 116.2 -168.404 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -122.42 45.56 2.34 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 125.816 1.646 . . . . 0.0 110.082 176.226 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 t -136.08 -51.62 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 124.866 1.266 . . . . 0.0 109.96 179.108 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 54.46 -72.88 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 130.332 3.453 . . . . 0.0 112.636 168.088 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.54 -6.76 21.28 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 125.755 1.645 . . . . 0.0 112.752 -172.732 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.451 ' C ' ' HE ' ' A' ' 23' ' ' ARG . . . -74.53 77.72 1.96 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.33 1.565 . . . . 0.0 109.227 176.829 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.683 ' HB2' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.27 -74.83 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.304 0 C-N-CA 124.917 1.287 . . . . 0.0 107.562 174.22 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.683 ' HD3' ' HB2' ' A' ' 23' ' ' ARG . 66.5 Cg_endo -75.82 -165.33 0.29 Allowed 'Trans proline' 0 N--CA 1.441 -1.61 1 C-N-CA 125.47 4.113 . . . . 0.0 108.547 164.38 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.6 58.94 3.92 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.987 0.915 . . . . 0.0 109.652 -176.796 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.5 m -67.96 71.45 0.16 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.137 1.375 . . . . 0.0 112.806 -169.91 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.3 ttp-105 -66.55 -43.4 85.19 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 125.522 1.529 . . . . 0.0 110.454 172.892 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 32.3 tpp 171.8 -71.59 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.715 1 C-N-CA 131.84 4.056 . . . . 0.0 103.014 178.513 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.7 m -53.33 167.41 0.2 Allowed 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 114.401 -1.272 . . . . 0.0 110.876 144.449 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.6 t -97.28 -59.06 1.86 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 166.026 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 98.1 mtp -129.03 -68.06 0.76 Allowed 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 105.075 -2.195 . . . . 0.0 105.075 170.143 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 142.445 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.8 mmt . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.64 68.76 3.78 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.196 0.998 . . . . 0.0 108.964 -179.676 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 59.8 ttm -50.31 -30.39 11.89 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.557 166.347 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.82 79.14 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.893 0.477 . . . . 0.0 110.325 176.755 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.7 tpt -62.88 -48.3 79.58 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.555 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -53.03 -48.95 67.21 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 109.969 178.861 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.1 m -60.27 -52.91 63.28 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.149 0.58 . . . . 0.0 111.106 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -42.47 96.43 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.484 0.659 . . . . 0.0 109.304 -176.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -61.65 -50.92 70.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.163 0.985 . . . . 0.0 109.555 -179.438 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.6 -49.81 69.56 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.473 0.709 . . . . 0.0 110.469 176.06 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.0 -49.77 74.77 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.55 0.34 . . . . 0.0 110.453 179.124 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -57.04 -52.14 66.46 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.645 0.378 . . . . 0.0 110.686 178.732 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.8 t -55.94 -41.25 66.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 118.086 0.403 . . . . 0.0 110.091 177.058 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.15 -22.15 57.64 Favored Glycine 0 CA--C 1.531 1.062 0 CA-C-O 118.969 -0.906 . . . . 0.0 113.288 176.327 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.01 61.24 3.82 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.908 1.354 . . . . 0.0 111.082 -172.676 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -175.12 -58.34 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.397 0 C-N-CA 129.443 3.097 . . . . 0.0 107.711 176.461 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -39.25 -74.06 0.04 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.195 1 C-N-CA 125.971 4.447 . . . . 0.0 112.059 159.908 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.81 43.52 0.59 Allowed 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 124.797 1.239 . . . . 0.0 110.722 -178.285 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 50.8 t -146.88 -50.94 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 CA-C-O 122.264 1.03 . . . . 0.0 110.548 179.003 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.48 -49.67 2.24 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 127.032 2.133 . . . . 0.0 109.892 -176.555 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.42 -29.97 76.17 Favored Glycine 0 CA--C 1.531 1.055 0 CA-C-N 115.661 -0.7 . . . . 0.0 113.125 -174.303 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -155.02 151.25 28.22 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.454 1.501 . . . . 0.0 107.423 -176.662 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.689 ' HB2' ' HD3' ' A' ' 24' ' ' PRO 0.271 0.0 OUTLIER -104.26 -78.61 0.02 OUTLIER Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 170.246 . . . . . . . . 4 4 . 1 . 025 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.689 ' HD3' ' HB2' ' A' ' 23' ' ' ARG . 35.8 Cg_endo -76.67 -152.26 0.04 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.301 1 C-N-CA 125.979 4.453 . . . . 0.0 107.904 164.926 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.11 64.02 1.34 Allowed 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.62 -0.675 . . . . 0.0 109.7 170.463 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.6 m -57.1 120.25 7.72 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.452 1.101 . . . . 0.0 110.003 177.571 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.39 -46.55 6.34 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 125.75 1.62 . . . . 0.0 111.942 -175.13 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.1 ttt -62.78 -58.57 6.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.038 -1.437 . . . . 0.0 108.192 173.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.5 m 144.27 150.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 1 C-N-CA 132.486 4.314 . . . . 0.0 107.455 169.564 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.2 t 49.15 -84.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 127.143 2.177 . . . . 0.0 111.644 -174.628 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.2 ptp -64.07 -34.7 78.62 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.478 1.111 . . . . 0.0 112.131 -167.891 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 N-CA-C 105.592 -2.003 . . . . 0.0 105.592 -177.886 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 mmt . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.13 -139.03 0.14 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.079 0.952 . . . . 0.0 110.301 -176.412 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -39.89 -46.19 1.97 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.989 2.116 . . . . 0.0 111.819 177.694 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.71 -44.84 63.35 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.641 0.776 . . . . 0.0 111.831 179.725 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 60.9 ttp -65.17 -50.9 64.18 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -177.059 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -55.54 -48.29 74.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.367 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.2 m -60.23 -54.07 50.19 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.437 0.695 . . . . 0.0 111.268 179.502 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.29 -42.18 98.21 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -176.472 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -61.23 -53.18 60.11 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.76 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.92 -47.44 74.4 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.142 0.577 . . . . 0.0 110.555 178.461 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.85 -50.91 71.02 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 176.879 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -59.53 -43.76 93.38 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 122.046 -0.409 . . . . 0.0 111.47 -179.379 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.4 t -56.42 -51.77 60.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 118.377 0.535 . . . . 0.0 109.619 174.176 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.85 -37.77 29.1 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 173.848 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.9 45.32 0.97 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.802 1.241 . . . . 0.0 110.141 178.613 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -29.76 148.29 0.04 OUTLIER Pre-proline 0 N--CA 1.426 -1.656 0 N-CA-C 119.127 3.01 . . . . 0.0 119.127 -168.357 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -73.27 -145.67 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.155 1 C-N-CA 127.226 5.284 . . . . 0.0 107.582 171.107 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.08 20.56 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -176.51 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.6 t -79.66 -30.23 13.43 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.142 0 C-N-CA 123.205 0.602 . . . . 0.0 109.912 159.941 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.3 tpp180 -5.93 -63.41 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 130.494 3.518 . . . . 0.0 114.965 174.026 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.94 -47.58 14.36 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.294 0.95 . . . . 0.0 112.256 -179.35 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.58 72.9 1.95 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 168.462 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.558 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -58.06 -72.1 0.26 Allowed Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 123.839 0.856 . . . . 0.0 112.241 -173.973 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.558 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 64.5 Cg_endo -79.66 -168.99 0.7 Allowed 'Trans proline' 0 N--CA 1.438 -1.745 1 C-N-CA 126.45 4.767 . . . . 0.0 109.241 173.201 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.88 72.33 0.81 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 168.179 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.4 m -71.02 149.66 46.39 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -150.615 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.4 mmt-85 -69.17 -50.22 49.6 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 125.405 1.482 . . . . 0.0 110.186 168.553 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.9 tpt -121.21 -69.63 0.83 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 112.599 -2.091 . . . . 0.0 108.143 179.046 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.1 p 138.85 164.37 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 130.397 3.479 . . . . 0.0 107.342 -169.813 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 50.3 t 63.67 -72.31 0.05 Allowed 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 126.56 1.944 . . . . 0.0 111.336 178.081 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 91.5 mtp -71.84 -54.98 8.42 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.466 1.107 . . . . 0.0 109.661 179.154 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.826 0 CA-C-O 116.72 -1.61 . . . . 0.0 108.671 -177.425 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.8 8.81 0.46 Allowed 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -170.044 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -58.86 -44.97 91.15 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 160.45 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.33 -48.14 81.48 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.683 0.393 . . . . 0.0 110.076 177.937 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -57.37 -57.49 12.41 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.411 0.684 . . . . 0.0 109.373 178.724 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -52.21 -49.35 64.11 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.24 0.216 . . . . 0.0 110.63 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.1 m -59.08 -54.57 45.56 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.739 0.416 . . . . 0.0 111.278 -179.658 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.42 -46.5 89.85 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 -176.438 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -56.35 -50.18 72.24 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.81 0.844 . . . . 0.0 110.347 -179.481 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.87 -47.38 74.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.819 0.448 . . . . 0.0 110.246 176.01 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.93 -42.36 89.55 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 122.245 -0.284 . . . . 0.0 110.948 176.847 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 mmt85 -61.8 -51.67 67.33 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 -179.274 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.7 t -53.35 -42.3 47.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 174.808 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.03 -19.33 10.93 Favored Glycine 0 CA--C 1.533 1.215 0 CA-C-O 118.563 -1.131 . . . . 0.0 114.604 175.409 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.91 16.6 13.43 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.361 1.58 . . . . 0.0 110.569 177.353 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 17' ' ' PRO 0.262 35.5 mttp 57.93 129.91 0.02 OUTLIER Pre-proline 0 N--CA 1.436 -1.156 0 C-N-CA 128.402 2.681 . . . . 0.0 111.655 -159.029 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 54.4 Cg_endo -64.52 -88.52 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.094 1 C-N-CA 126.168 4.578 . . . . 0.0 110.51 -155.904 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.26 33.83 0.05 OUTLIER 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 124.714 1.205 . . . . 0.0 111.697 173.958 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.1 t -119.03 -64.21 1.73 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 CA-C-O 122.066 0.936 . . . . 0.0 110.042 174.355 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.1 ttt-85 -115.75 -44.82 2.92 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 113.259 -1.791 . . . . 0.0 109.578 -179.153 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -47.04 -44.02 18.36 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 123.83 0.729 . . . . 0.0 111.792 176.276 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.54 68.95 0.82 Allowed 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 166.61 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.539 ' HB3' ' CD ' ' A' ' 24' ' ' PRO . 1.8 tpm_? -55.86 -72.24 0.22 Allowed Pre-proline 0 CA--C 1.538 0.515 0 C-N-CA 125.055 1.342 . . . . 0.0 109.542 170.774 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.539 ' CD ' ' HB3' ' A' ' 23' ' ' ARG . 19.3 Cg_endo -65.07 114.47 2.82 Favored 'Trans proline' 0 N--CA 1.432 -2.107 0 C-N-CA 124.428 3.419 . . . . 0.0 107.697 164.41 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -159.76 -131.37 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 128.275 2.63 . . . . 0.0 106.166 -179.018 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -73.02 53.3 0.35 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.085 0.857 . . . . 0.0 110.748 170.762 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.9 mtt85 -147.18 -133.05 0.07 Allowed 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 127.429 2.291 . . . . 0.0 105.123 -175.903 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 30.6 tpp -162.89 -78.34 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 126.038 1.735 . . . . 0.0 107.123 172.005 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.3 p -110.57 -63.63 1.37 Allowed 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 122.882 1.325 . . . . 0.0 110.297 175.7 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.7 t -100.4 -56.27 2.39 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 128.423 2.689 . . . . 0.0 109.402 174.5 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.7 ptt? -159.48 -51.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 128.268 2.627 . . . . 0.0 106.133 178.204 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 142.572 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.291 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 55.5 ttm -48.05 -37.14 14.32 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 125.625 1.57 . . . . 0.0 110.663 172.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.22 -42.07 90.13 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.918 -0.488 . . . . 0.0 110.965 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -78.15 -42.75 30.74 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.64 1.176 . . . . 0.0 109.343 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -47.0 -52.46 14.7 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 170.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.9 m -67.84 -46.36 72.02 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.377 0.671 . . . . 0.0 111.503 -175.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.74 -47.24 77.28 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 118.604 0.638 . . . . 0.0 109.297 176.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -61.36 -53.87 51.08 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.66 -21.01 37.54 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.394 1.078 . . . . 0.0 112.06 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.66 -57.12 3.83 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 118.646 0.657 . . . . 0.0 110.671 166.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.0 mmt-85 -65.19 -14.47 60.7 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 118.056 -0.974 . . . . 0.0 113.593 -170.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -47.54 -43.39 9.06 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-N 119.898 1.226 . . . . 0.0 111.032 163.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.19 -24.12 5.82 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 124.567 1.08 . . . . 0.0 112.343 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.311 0 C-N-CA 127.255 2.222 . . . . 0.0 110.482 -172.206 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.226 0 CA-C-O 122.558 1.17 . . . . 0.0 112.186 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 10.1 tmm? -56.62 -52.98 62.8 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 112.996 -1.911 . . . . 0.0 109.01 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.05 77.73 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.199 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 42.6 tpp -57.14 -52.07 66.76 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 121.075 0.464 . . . . 0.0 110.285 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.41 -45.27 55.56 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 123.782 0.833 . . . . 0.0 110.388 177.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.8 m -64.45 -48.47 75.16 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 122.974 0.509 . . . . 0.0 109.943 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -52.01 -44.2 64.02 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.354 1.062 . . . . 0.0 109.99 176.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -67.7 -50.28 58.35 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -34.1 64.25 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.867 0.867 . . . . 0.0 111.291 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.54 -60.49 2.68 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 170.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -60.18 -28.37 67.89 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 118.086 -0.959 . . . . 0.0 113.443 -172.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -33.47 -49.35 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 126.619 1.968 . . . . 0.0 113.409 -173.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.19 38.56 1.46 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 167.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.221 0 C-N-CA 126.14 1.776 . . . . 0.0 110.345 -171.004 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -58.04 -35.05 70.74 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 169.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.97 -46.72 84.69 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.85 0.86 . . . . 0.0 109.848 174.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -61.49 -55.43 31.24 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.52 -54.53 31.46 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 122.343 -0.223 . . . . 0.0 111.018 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.3 p -59.56 -60.05 4.46 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 122.758 0.423 . . . . 0.0 110.815 -176.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.67 -44.1 69.4 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -177.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.33 -55.68 22.64 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -177.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.52 -31.96 66.57 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.011 0.525 . . . . 0.0 111.506 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.09 -56.32 8.05 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.162 0.437 . . . . 0.0 110.479 171.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -74.59 -24.93 58.96 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.611 -0.709 . . . . 0.0 112.452 -164.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.9 m -56.45 117.35 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 119.861 1.209 . . . . 0.0 108.881 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 54.85 15.5 6.54 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.512 1.053 . . . . 0.0 113.765 -173.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.313 0 C-N-CA 125.485 1.514 . . . . 0.0 110.853 -166.717 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.289 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.3 mmt -44.08 -43.3 6.78 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 126.19 1.796 . . . . 0.0 111.137 171.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.7 98.33 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 122.125 -0.359 . . . . 0.0 110.831 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -69.73 -46.77 65.18 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 -51.4 -49.55 61.37 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.152 0.581 . . . . 0.0 109.865 173.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 71.0 m -60.63 -51.79 67.91 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.097 0.559 . . . . 0.0 109.9 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.9 -39.89 93.56 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -175.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -62.5 -52.96 61.4 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.06 -39.94 69.76 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.788 0.435 . . . . 0.0 110.564 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.15 -54.08 44.58 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.9 mmt-85 -62.07 -47.56 84.1 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 118.458 0.572 . . . . 0.0 111.603 176.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.77 -42.01 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 118.375 0.534 . . . . 0.0 110.177 -169.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.48 -26.88 31.61 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-O 119.781 -0.455 . . . . 0.0 112.003 173.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.299 0 C-N-CA 125.778 1.631 . . . . 0.0 109.036 -164.074 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 113.923 1.082 . . . . 0.0 113.923 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.5 mtt -61.8 -46.12 90.93 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 167.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.22 -48.89 75.57 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.8 ttp -59.39 -57.64 12.09 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.506 0.722 . . . . 0.0 110.266 -177.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -46.0 92.34 Favored 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.894 -175.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 65.2 m -52.78 -59.45 4.48 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.946 0.498 . . . . 0.0 110.997 175.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 t -62.93 -39.98 96.25 Favored 'General case' 0 C--N 1.339 0.11 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -173.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -61.48 -54.13 47.33 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.26 -47.49 75.39 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.278 0.631 . . . . 0.0 110.387 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.69 -55.34 30.81 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -55.37 -47.48 75.73 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.015 0.37 . . . . 0.0 110.965 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.8 t -56.33 -49.32 77.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.042 0.537 . . . . 0.0 110.732 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.21 -41.71 99.57 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 174.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.213 0 C-N-CA 124.669 1.188 . . . . 0.0 110.399 -170.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.272 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -43.6 70.37 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 124.433 1.093 . . . . 0.0 108.833 164.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.46 -48.27 82.29 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.708 0.403 . . . . 0.0 110.173 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 16.3 tpt -60.63 -49.8 76.07 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.981 0.513 . . . . 0.0 109.797 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 56.1 ttt85 -51.74 -51.69 54.25 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.898 0.479 . . . . 0.0 109.941 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.9 m -59.9 -52.04 67.11 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.184 0.594 . . . . 0.0 110.548 -177.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -42.81 99.46 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -59.39 -47.78 84.12 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 122.022 -0.424 . . . . 0.0 109.901 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.91 -48.06 83.24 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.562 0.345 . . . . 0.0 110.943 176.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.24 83.84 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.514 0.725 . . . . 0.0 111.442 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 68.7 mtp85 -74.39 -71.48 0.34 Allowed 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 125.245 1.418 . . . . 0.0 110.463 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 p 32.49 -108.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 125.843 1.657 . . . . 0.0 109.462 -152.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.9 54.67 3.44 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-N 120.267 1.394 . . . . 0.0 111.071 172.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.321 0 C-N-CA 128.593 2.757 . . . . 0.0 113.497 -167.419 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.207 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.0 tpt -51.95 -37.05 51.42 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 123.703 0.801 . . . . 0.0 109.734 167.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.29 -48.9 73.39 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.35 0.26 . . . . 0.0 110.513 174.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.3 mmt -66.39 -46.12 77.71 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.8 mtp85 -53.09 -46.87 68.84 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 175.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.4 m -64.91 -48.77 72.98 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.082 0.553 . . . . 0.0 110.421 -178.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -44.5 90.27 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -62.47 -48.73 78.33 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 122.954 0.501 . . . . 0.0 109.935 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.83 -42.9 68.97 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.859 0.464 . . . . 0.0 110.308 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.65 -46.4 90.45 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 119.298 -0.382 . . . . 0.0 110.608 175.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.4 mmt-85 -55.43 -52.36 63.84 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 118.768 0.713 . . . . 0.0 110.2 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.8 t -55.31 -47.24 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.37 -27.8 18.1 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 123.862 0.744 . . . . 0.0 112.729 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.226 0 C-N-CA 124.028 0.931 . . . . 0.0 112.153 -177.12 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.277 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.7 mtp -48.84 -45.65 41.02 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 125.17 1.388 . . . . 0.0 109.779 163.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.26 -48.81 79.71 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.607 0.363 . . . . 0.0 110.278 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -48.19 82.81 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.282 0.633 . . . . 0.0 109.593 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -53.86 -53.35 53.79 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 122.846 0.458 . . . . 0.0 109.934 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.1 m -57.07 -52.88 63.5 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.367 -177.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.94 -41.62 99.55 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -177.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -62.2 -40.43 96.06 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.86 92.24 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.871 0.759 . . . . 0.0 110.81 174.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.1 99.39 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.898 -0.501 . . . . 0.0 110.842 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -60.42 -70.56 0.17 Allowed 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.111 0.564 . . . . 0.0 109.592 169.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.7 m 31.13 -121.77 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 125.067 1.347 . . . . 0.0 109.085 -144.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.37 49.03 2.93 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-N 120.619 1.554 . . . . 0.0 111.768 173.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.303 0 C-N-CA 127.413 2.285 . . . . 0.0 111.811 -168.478 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.591 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 60.9 ttm -50.6 -37.13 38.35 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 174.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.4 93.85 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.994 0.917 . . . . 0.0 110.663 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.5 tmm? -65.29 -52.67 52.62 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -54.18 -52.8 60.03 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 119.687 -0.197 . . . . 0.0 111.449 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.2 p -60.6 -57.88 10.82 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 122.8 0.44 . . . . 0.0 110.596 -176.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.93 -45.64 78.72 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -177.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -58.77 -53.41 58.72 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 121.962 -0.461 . . . . 0.0 110.077 -178.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.14 -43.72 74.45 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.674 0.39 . . . . 0.0 110.939 177.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.78 -53.9 52.93 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 122.168 -0.332 . . . . 0.0 110.358 176.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -60.24 -42.41 95.2 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 124.69 1.196 . . . . 0.0 111.468 -177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.2 t -48.05 -55.52 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 123.768 0.827 . . . . 0.0 110.243 176.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.24 -26.11 64.66 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 176.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.25 0 C-N-CA 126.438 1.895 . . . . 0.0 109.268 -160.023 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 121.25 0.547 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.3 ttt -53.88 -29.97 43.94 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 168.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.2 85.83 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.155 0.582 . . . . 0.0 110.473 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -61.5 -53.72 52.66 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 83.2 mmt-85 -51.98 -47.18 64.99 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.514 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.8 m -60.72 -55.25 35.46 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.223 0.609 . . . . 0.0 111.076 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.79 -44.49 96.76 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -176.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -54.7 -55.48 29.29 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.771 0.828 . . . . 0.0 109.43 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.72 -37.88 74.33 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.064 0.546 . . . . 0.0 111.777 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -27.98 65.19 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 118.978 -0.534 . . . . 0.0 112.04 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -98.79 -54.5 2.99 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 118.547 0.612 . . . . 0.0 111.847 -176.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.6 t -66.14 154.11 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.49 -56.8 2.48 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -173.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.41 0 C-N-CA 126.155 1.782 . . . . 0.0 111.747 -174.482 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 121.542 0.686 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 61.6 ttp -52.18 -34.15 43.9 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 163.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.61 -54.75 42.89 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.804 0.441 . . . . 0.0 109.98 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 42.6 tpp -60.7 -49.92 75.57 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.986 0.514 . . . . 0.0 109.629 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -54.64 -47.35 73.61 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.592 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.9 m -63.44 -49.39 73.87 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.642 0.377 . . . . 0.0 110.75 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.62 -42.68 97.34 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 -178.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -61.42 -48.62 80.38 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.776 -0.578 . . . . 0.0 109.989 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.0 -43.1 69.77 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 122.266 -0.271 . . . . 0.0 110.389 175.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.75 -49.2 78.46 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.845 -0.598 . . . . 0.0 110.678 175.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? -52.95 -46.88 68.36 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 119.305 0.957 . . . . 0.0 110.416 176.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.2 t -60.7 -51.69 70.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 122.636 0.374 . . . . 0.0 110.318 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.57 -36.78 65.31 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 176.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.246 0 C-N-CA 124.664 1.185 . . . . 0.0 110.467 -178.194 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.694 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -46.9 -30.42 2.52 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.446 166.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.53 -46.93 83.75 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 122.992 0.517 . . . . 0.0 110.193 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 37.2 ttm -63.11 -47.14 84.09 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -56.37 -45.12 80.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.803 177.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -58.86 -54.11 50.79 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.554 0.742 . . . . 0.0 109.715 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.89 -48.66 80.8 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.492 ' O ' HG13 ' A' ' 13' ' ' VAL . 60.9 t80 -52.79 -52.02 58.43 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.892 1.277 . . . . 0.0 109.934 -173.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.75 -33.27 55.2 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.676 0.79 . . . . 0.0 112.504 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.79 -48.35 14.98 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.95 0.881 . . . . 0.0 109.649 173.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -59.7 -28.71 67.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.509 1.923 . . . . 0.0 112.2 -172.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 9' ' ' PHE . 29.9 m -34.23 -46.6 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 125.79 1.636 . . . . 0.0 113.159 -178.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.32 36.01 1.77 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 109.915 -1.274 . . . . 0.0 109.915 168.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.244 0 C-N-CA 125.633 1.573 . . . . 0.0 110.469 -172.804 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.32 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.8 tmm? -39.59 -47.93 2.0 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 127.463 2.305 . . . . 0.0 112.487 -175.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.81 -45.77 74.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.552 0.341 . . . . 0.0 111.23 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.8 ttt -69.15 -44.25 72.69 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.037 0.535 . . . . 0.0 109.606 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.3 mmp_? -51.46 -49.19 62.23 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.6 m -63.6 -52.19 62.01 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.798 0.839 . . . . 0.0 110.72 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.28 -44.65 84.19 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -178.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -60.97 -51.4 69.42 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 122.076 -0.39 . . . . 0.0 110.147 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.87 -26.91 64.69 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.037 0.935 . . . . 0.0 111.922 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.86 -62.44 1.54 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.277 0.489 . . . . 0.0 110.185 169.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.8 mtt-85 -57.85 -39.87 78.74 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 124.809 1.244 . . . . 0.0 112.348 -169.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.9 p -51.86 -44.05 36.47 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 C-N-CA 123.331 0.653 . . . . 0.0 110.66 -177.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.88 -36.17 10.56 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.453 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.308 0 C-N-CA 125.027 1.331 . . . . 0.0 109.153 -169.636 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.371 0 CA-C-O 120.888 0.375 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 83.2 mtp -56.44 -35.92 68.41 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.843 0.857 . . . . 0.0 108.725 170.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.35 -53.97 46.72 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.933 174.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 10.4 ttt -59.76 -45.66 91.57 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 123.112 0.565 . . . . 0.0 109.73 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -59.81 -40.3 87.91 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.3 m -66.83 -49.3 66.18 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -44.06 -52.85 6.83 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 124.116 0.966 . . . . 0.0 109.852 166.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -62.62 -50.18 72.26 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.855 0.862 . . . . 0.0 109.593 -172.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.6 -50.0 66.57 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.061 0.544 . . . . 0.0 110.363 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.93 -50.83 72.03 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 178.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -48.99 71.43 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.724 1.209 . . . . 0.0 109.636 -179.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.0 t -60.21 -50.79 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 123.542 0.737 . . . . 0.0 110.401 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.17 -36.19 67.51 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 175.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.244 0 C-N-CA 124.48 1.112 . . . . 0.0 110.006 -178.5 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.478 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -41.21 72.65 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 168.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.63 -49.28 73.27 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.953 0.501 . . . . 0.0 110.247 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 45.9 ttp -59.8 -49.87 76.04 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.506 0.722 . . . . 0.0 109.697 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -59.35 -37.46 77.91 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.955 -0.466 . . . . 0.0 112.037 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.9 m -65.02 -48.12 75.02 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -47.48 -51.09 21.55 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.906 0.883 . . . . 0.0 109.349 170.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -62.73 -52.03 64.83 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -173.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.5 -50.71 62.24 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.019 0.527 . . . . 0.0 110.676 176.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.65 -49.48 76.33 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.394 0.278 . . . . 0.0 110.829 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -63.73 -43.58 96.1 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.058 0.543 . . . . 0.0 111.273 -177.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.3 t -57.92 -46.47 87.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 173.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.96 48.33 2.01 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 118.408 0.549 . . . . 0.0 111.99 173.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 C-N-CA 128.014 2.526 . . . . 0.0 104.944 -174.134 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.238 0 CA-C-O 122.415 1.102 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.6 ttp -51.13 -53.27 35.98 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 113.068 -1.878 . . . . 0.0 109.889 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.15 -52.11 65.54 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.966 0.506 . . . . 0.0 110.36 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.9 mtt -61.7 -45.04 95.7 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 122.765 0.426 . . . . 0.0 110.555 -178.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -58.64 -40.88 84.66 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.938 -0.477 . . . . 0.0 111.281 175.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.9 m -64.56 -48.61 74.38 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.81 -49.77 37.39 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 124.194 0.998 . . . . 0.0 109.19 171.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -62.63 -51.06 68.76 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.68 0.792 . . . . 0.0 109.519 -174.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.48 -52.26 60.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.977 0.511 . . . . 0.0 110.405 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.39 -53.99 51.01 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.96 0.409 . . . . 0.0 110.792 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -53.35 -51.9 60.95 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.919 1.688 . . . . 0.0 109.666 -177.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.9 t -59.12 -56.25 18.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 O-C-N 121.719 -0.613 . . . . 0.0 109.795 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.33 -33.35 16.01 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 123.464 0.554 . . . . 0.0 112.063 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.156 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -174.523 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 122.59 1.186 . . . . 0.0 112.228 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -52.29 -52.36 53.32 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 112.945 -1.934 . . . . 0.0 109.915 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.38 -43.32 99.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 122.597 0.359 . . . . 0.0 110.324 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 32.1 ttm -57.77 -52.98 63.24 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -58.32 -42.52 86.95 Favored 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 121.941 -0.475 . . . . 0.0 110.702 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.8 m -58.33 -54.45 46.83 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.008 0.367 . . . . 0.0 110.752 177.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.19 -38.11 89.86 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -176.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -62.78 -52.56 62.73 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.39 -48.47 71.53 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 121.824 -0.548 . . . . 0.0 110.017 175.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.93 -53.51 40.29 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.532 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -34.19 69.66 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 122.974 0.51 . . . . 0.0 111.25 -175.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 t -52.71 -56.78 5.93 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 C-N-CA 123.913 0.885 . . . . 0.0 108.753 175.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.17 -27.44 68.31 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 176.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.234 0 C-N-CA 125.591 1.556 . . . . 0.0 107.847 -157.213 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.2 tpt -63.98 -43.36 95.96 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 167.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.38 -48.88 75.95 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.728 0.411 . . . . 0.0 110.0 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.7 ttt -59.58 -54.02 51.33 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.516 0.726 . . . . 0.0 110.057 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -54.63 -48.88 71.71 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.367 -0.208 . . . . 0.0 110.467 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.8 m -59.57 -52.35 65.93 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.871 0.468 . . . . 0.0 110.964 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.61 -47.28 86.91 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -177.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -54.95 -50.77 68.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.339 0.655 . . . . 0.0 110.331 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.18 -39.7 69.87 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.653 0.781 . . . . 0.0 111.028 176.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.03 -37.68 81.66 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 117.969 0.349 . . . . 0.0 111.377 175.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -66.3 -52.98 41.91 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 118.837 0.744 . . . . 0.0 109.953 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.3 m -56.37 131.49 19.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -173.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.27 -34.35 4.01 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-O 119.599 -0.556 . . . . 0.0 111.868 -173.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.197 0 CA-C-N 118.677 1.239 . . . . 0.0 111.619 177.692 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.276 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.2 ptm -51.84 -37.9 53.78 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 124.023 0.929 . . . . 0.0 110.047 167.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.13 87.62 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.207 -0.308 . . . . 0.0 110.29 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 91.3 mmm -63.42 -45.5 90.67 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -56.74 -46.67 81.23 Favored 'General case' 0 C--N 1.333 -0.142 0 O-C-N 121.926 -0.484 . . . . 0.0 110.43 177.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.8 m -59.78 -50.14 74.98 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.85 0.46 . . . . 0.0 110.378 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.94 -37.95 89.07 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -60.92 -49.13 78.71 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.84 81.94 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.833 0.453 . . . . 0.0 110.068 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.92 -51.8 68.13 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.259 0.224 . . . . 0.0 110.526 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.6 mtp-105 -51.51 -51.09 58.07 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.89 0.476 . . . . 0.0 110.494 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.8 t -58.95 -48.0 87.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 C-N-CA 122.597 0.359 . . . . 0.0 110.804 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.76 -37.7 70.12 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 174.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.281 0 C-N-CA 123.58 0.752 . . . . 0.0 110.068 -176.889 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.3 tpt -59.91 -32.34 70.67 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 169.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.17 -49.18 72.52 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.679 0.392 . . . . 0.0 110.173 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.5 tpt -62.76 -52.64 62.44 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -51.91 -49.35 63.23 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.1 m -62.01 -53.44 55.57 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.396 0.678 . . . . 0.0 111.005 -178.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.35 -42.15 98.22 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -176.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -62.36 -53.02 61.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 123.084 0.554 . . . . 0.0 109.774 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.3 -48.39 71.36 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.031 0.533 . . . . 0.0 110.458 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.07 -52.72 63.25 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -46.85 78.29 Favored 'General case' 0 C--O 1.228 -0.074 0 C-N-CA 122.534 0.333 . . . . 0.0 111.238 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.1 t -58.81 -48.63 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 122.854 0.462 . . . . 0.0 110.317 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.14 -38.38 85.57 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 174.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.22 0 C-N-CA 124.551 1.14 . . . . 0.0 109.979 -176.574 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.204 0 CA-C-O 122.299 1.047 . . . . 0.0 112.708 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.8 tpt -61.1 -48.26 82.47 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 113.436 -1.711 . . . . 0.0 109.849 178.43 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.79 -46.09 89.63 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -56.01 -55.94 26.76 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.29 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -49.03 -55.58 11.6 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 123.736 0.814 . . . . 0.0 109.928 177.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.9 m -58.52 -51.61 69.13 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.019 0.528 . . . . 0.0 111.355 -176.405 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.12 -41.57 94.76 Favored 'General case' 0 CA--C 1.527 0.076 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -175.838 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -61.81 -50.37 72.58 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.37 -50.22 72.17 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.154 0.582 . . . . 0.0 109.985 177.136 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.7 -48.23 69.75 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.475 0.31 . . . . 0.0 110.567 177.03 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -59.89 -50.23 74.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.853 179.116 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.7 t -52.01 -49.86 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 118.983 0.811 . . . . 0.0 108.934 175.266 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.03 1.77 1.23 Allowed Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.519 1.057 . . . . 0.0 114.794 176.694 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.44 0 CA-C-N 118.971 1.385 . . . . 0.0 108.828 170.99 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.723 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 70.1 mtm -49.79 -27.31 4.8 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.298 0.639 . . . . 0.0 110.568 170.176 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.21 93.93 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.428 0.691 . . . . 0.0 110.682 175.816 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 27.3 ttt -65.1 -52.25 56.57 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.976 0.91 . . . . 0.0 109.116 -179.403 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -49.39 -53.89 20.18 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 173.066 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.5 m -58.42 -52.68 64.6 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.926 0.491 . . . . 0.0 111.376 -176.684 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.35 -47.84 84.01 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -177.453 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -56.24 -51.06 69.48 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -178.582 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.32 -43.36 74.84 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.932 0.893 . . . . 0.0 111.14 176.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.83 -40.51 96.78 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.709 -0.62 . . . . 0.0 111.16 176.422 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -69.89 -47.02 64.17 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.097 0.559 . . . . 0.0 111.29 -175.874 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.1 m -59.25 128.2 19.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 118.743 0.701 . . . . 0.0 110.103 -175.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.52 5.16 90.03 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 123.786 0.708 . . . . 0.0 112.83 -174.837 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.228 0 C-N-CA 124.989 1.316 . . . . 0.0 112.061 172.826 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.7 ttt -74.92 73.96 2.15 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 105.072 -2.195 . . . . 0.0 105.072 175.005 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -36.26 87.92 0.0 OUTLIER 'General case' 0 C--N 1.339 0.115 0 C-N-CA 125.228 1.411 . . . . 0.0 112.205 -134.174 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.7 tpt -39.22 -52.31 1.95 Allowed 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 127.972 2.509 . . . . 0.0 112.749 -168.139 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -55.31 -48.93 73.39 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.014 0.435 . . . . 0.0 111.055 178.455 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 t -64.92 -52.61 55.45 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.925 1.29 . . . . 0.0 108.856 -178.645 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -40.88 -54.69 2.65 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.647 1.979 . . . . 0.0 109.961 169.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -63.83 -54.25 37.97 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -175.271 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.4 -35.58 63.02 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 122.893 0.477 . . . . 0.0 111.947 179.017 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.67 -45.02 63.23 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 122.034 -0.416 . . . . 0.0 111.165 175.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.6 mmm-85 -82.61 -24.26 33.97 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -170.704 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.2 m -57.59 146.61 6.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 120.189 1.359 . . . . 0.0 108.714 170.734 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.91 -61.84 2.92 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 -168.283 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.592 0 C-N-CA 125.315 1.446 . . . . 0.0 112.147 178.866 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 121.402 0.62 . . . . 0.0 109.658 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.9 ttt -55.32 -27.51 47.48 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.651 169.041 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.83 -47.61 82.15 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.622 0.369 . . . . 0.0 110.198 174.254 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 54.5 ttp -64.49 -49.31 71.85 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -179.568 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.7 mtm105 -54.26 -47.98 71.68 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 178.179 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.2 m -62.21 -51.96 65.7 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.122 0.569 . . . . 0.0 110.612 -178.679 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.98 -43.33 95.2 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -178.797 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -58.59 -54.66 44.53 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -179.093 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.29 -49.11 70.38 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 122.662 0.385 . . . . 0.0 110.75 177.215 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.54 -52.92 43.1 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.524 0.73 . . . . 0.0 110.316 179.454 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.4 mtt-85 -68.81 -39.97 79.77 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.524 1.129 . . . . 0.0 111.512 -177.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 t -50.67 -54.97 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 123.718 0.807 . . . . 0.0 109.406 174.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.12 -25.37 71.31 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.597 176.835 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.263 0 C-N-CA 125.552 1.541 . . . . 0.0 108.081 -155.707 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.548 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 59.8 ttm -50.31 -30.39 11.89 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.557 166.347 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.82 79.14 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.893 0.477 . . . . 0.0 110.325 176.755 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.7 tpt -62.88 -48.3 79.58 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.555 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -53.03 -48.95 67.21 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 109.969 178.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.1 m -60.27 -52.91 63.28 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.149 0.58 . . . . 0.0 111.106 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -42.47 96.43 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.484 0.659 . . . . 0.0 109.304 -176.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -61.65 -50.92 70.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.163 0.985 . . . . 0.0 109.555 -179.438 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.6 -49.81 69.56 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.473 0.709 . . . . 0.0 110.469 176.06 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.0 -49.77 74.77 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.55 0.34 . . . . 0.0 110.453 179.124 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -57.04 -52.14 66.46 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.645 0.378 . . . . 0.0 110.686 178.732 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.8 t -55.94 -41.25 66.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 118.086 0.403 . . . . 0.0 110.091 177.058 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.15 -22.15 57.64 Favored Glycine 0 CA--C 1.531 1.062 0 CA-C-O 118.969 -0.906 . . . . 0.0 113.288 176.327 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.403 0 CA-C-N 118.908 1.354 . . . . 0.0 111.082 -172.676 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.432 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -39.89 -46.19 1.97 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.989 2.116 . . . . 0.0 111.819 177.694 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.71 -44.84 63.35 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.641 0.776 . . . . 0.0 111.831 179.725 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 60.9 ttp -65.17 -50.9 64.18 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -177.059 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -55.54 -48.29 74.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.367 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.2 m -60.23 -54.07 50.19 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.437 0.695 . . . . 0.0 111.268 179.502 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.29 -42.18 98.21 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -176.472 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -61.23 -53.18 60.11 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.76 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.92 -47.44 74.4 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.142 0.577 . . . . 0.0 110.555 178.461 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.85 -50.91 71.02 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 176.879 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -59.53 -43.76 93.38 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 122.046 -0.409 . . . . 0.0 111.47 -179.379 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.4 t -56.42 -51.77 60.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 118.377 0.535 . . . . 0.0 109.619 174.176 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.85 -37.77 29.1 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 173.848 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.299 0 C-N-CA 124.802 1.241 . . . . 0.0 110.141 178.613 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.356 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -58.86 -44.97 91.15 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 160.45 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.33 -48.14 81.48 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.683 0.393 . . . . 0.0 110.076 177.937 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -57.37 -57.49 12.41 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.411 0.684 . . . . 0.0 109.373 178.724 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -52.21 -49.35 64.11 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.24 0.216 . . . . 0.0 110.63 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.1 m -59.08 -54.57 45.56 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.739 0.416 . . . . 0.0 111.278 -179.658 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.42 -46.5 89.85 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 -176.438 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -56.35 -50.18 72.24 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.81 0.844 . . . . 0.0 110.347 -179.481 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.87 -47.38 74.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.819 0.448 . . . . 0.0 110.246 176.01 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.93 -42.36 89.55 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 122.245 -0.284 . . . . 0.0 110.948 176.847 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 mmt85 -61.8 -51.67 67.33 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 -179.274 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.7 t -53.35 -42.3 47.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 174.808 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.03 -19.33 10.93 Favored Glycine 0 CA--C 1.533 1.215 0 CA-C-O 118.563 -1.131 . . . . 0.0 114.604 175.409 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.212 0 CA-C-N 119.361 1.58 . . . . 0.0 110.569 177.353 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.02 -24.63 55.08 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -173.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 55.5 ttm -48.05 -37.14 14.32 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 125.625 1.57 . . . . 0.0 110.663 172.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.22 -42.07 90.13 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.918 -0.488 . . . . 0.0 110.965 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -78.15 -42.75 30.74 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.64 1.176 . . . . 0.0 109.343 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -47.0 -52.46 14.7 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 170.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.9 m -67.84 -46.36 72.02 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.377 0.671 . . . . 0.0 111.503 -175.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.74 -47.24 77.28 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 118.604 0.638 . . . . 0.0 109.297 176.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -61.36 -53.87 51.08 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.66 -21.01 37.54 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.394 1.078 . . . . 0.0 112.06 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.66 -57.12 3.83 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 118.646 0.657 . . . . 0.0 110.671 166.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.0 mmt-85 -65.19 -14.47 60.7 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 118.056 -0.974 . . . . 0.0 113.593 -170.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -47.54 -43.39 9.06 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-N 119.898 1.226 . . . . 0.0 111.032 163.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.19 -24.12 5.82 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 124.567 1.08 . . . . 0.0 112.343 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 75.55 -58.81 0.55 Allowed 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 127.255 2.222 . . . . 0.0 110.482 -172.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -21.18 -59.85 0.07 OUTLIER Pre-proline 0 C--N 1.32 -0.689 0 C-N-CA 129.754 3.222 . . . . 0.0 114.992 171.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -37.43 -43.22 1.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.904 1 C-N-CA 125.928 4.418 . . . . 0.0 116.368 172.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.98 12.76 29.29 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 125.709 1.603 . . . . 0.0 113.86 -174.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.6 m -143.65 -44.04 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.62 -48.14 6.75 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 127.286 2.234 . . . . 0.0 108.192 176.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.14 -66.66 2.58 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 108.717 -1.753 . . . . 0.0 108.717 172.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.25 59.34 0.76 Allowed 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.932 -0.746 . . . . 0.0 110.232 169.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.559 ' HB3' ' CD ' ' A' ' 24' ' ' PRO . 10.0 tpt180 -74.79 -75.77 0.1 OUTLIER Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 164.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.559 ' CD ' ' HB3' ' A' ' 23' ' ' ARG . 27.9 Cg_endo -79.98 -147.8 0.03 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.492 1 C-N-CA 125.304 4.003 . . . . 0.0 107.201 156.178 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.84 12.07 9.91 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.192 -0.942 . . . . 0.0 113.24 -171.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 p -77.2 67.75 3.21 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.152 -0.967 . . . . 0.0 111.352 -173.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -139.33 -126.4 0.12 Allowed 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 168.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 52.0 ttm -151.04 -99.8 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 125.114 1.366 . . . . 0.0 108.311 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.9 m -157.31 162.07 39.14 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 174.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.6 p -176.24 171.52 2.46 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 118.025 0.375 . . . . 0.0 109.99 -166.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 27.4 ttt -71.39 -42.15 68.75 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 124.045 0.841 . . . . 0.0 109.228 167.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 C-N-CA 125.895 1.678 . . . . 0.0 106.604 175.647 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.1 -47.9 79.92 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 122.558 1.17 . . . . 0.0 112.186 -172.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 10.1 tmm? -56.62 -52.98 62.8 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 112.996 -1.911 . . . . 0.0 109.01 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.05 77.73 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.199 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 42.6 tpp -57.14 -52.07 66.76 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 121.075 0.464 . . . . 0.0 110.285 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.41 -45.27 55.56 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 123.782 0.833 . . . . 0.0 110.388 177.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.8 m -64.45 -48.47 75.16 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 122.974 0.509 . . . . 0.0 109.943 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -52.01 -44.2 64.02 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.354 1.062 . . . . 0.0 109.99 176.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -67.7 -50.28 58.35 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -34.1 64.25 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.867 0.867 . . . . 0.0 111.291 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.54 -60.49 2.68 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 170.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -60.18 -28.37 67.89 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 118.086 -0.959 . . . . 0.0 113.443 -172.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -33.47 -49.35 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 126.619 1.968 . . . . 0.0 113.409 -173.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.19 38.56 1.46 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 167.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 43.12 47.42 5.25 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 126.14 1.776 . . . . 0.0 110.345 -171.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -34.46 -58.23 0.66 Allowed Pre-proline 0 CA--C 1.537 0.444 0 C-N-CA 126.906 2.082 . . . . 0.0 114.677 -173.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -37.76 -51.33 1.83 Allowed 'Trans proline' 0 N--CA 1.452 -0.954 1 C-N-CA 125.588 4.192 . . . . 0.0 114.736 172.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.13 -15.18 61.98 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.467 -1.697 . . . . 0.0 113.313 -176.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.3 t -80.56 -15.53 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 124.902 1.281 . . . . 0.0 111.486 172.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -97.59 -41.83 7.96 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 125.153 1.381 . . . . 0.0 108.804 173.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.1 -58.85 9.71 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 168.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.58 73.93 2.59 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.829 -0.807 . . . . 0.0 109.303 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.553 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -54.64 -72.52 0.2 Allowed Pre-proline 0 CA--C 1.537 0.475 0 C-N-CA 123.622 0.769 . . . . 0.0 109.54 172.378 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.553 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 61.9 Cg_endo -78.57 -173.41 1.84 Allowed 'Trans proline' 0 N--CA 1.436 -1.867 1 C-N-CA 126.515 4.81 . . . . 0.0 108.449 167.285 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 44.53 40.91 4.29 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.891 1.677 . . . . 0.0 110.575 -171.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -71.73 91.66 1.14 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.287 1.435 . . . . 0.0 111.449 -164.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.75 -122.75 0.09 Allowed 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 170.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 32.0 ttp -70.76 -75.32 0.12 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 153.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.8 p -92.74 -112.29 0.1 Allowed 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 161.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.7 t -136.57 153.97 50.83 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 125.517 1.527 . . . . 0.0 107.096 162.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.0 tpt 67.67 -46.72 0.5 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.522 2.329 . . . . 0.0 110.886 -169.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 158.214 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.472 0.669 0 N-CA-C 105.956 -1.868 . . . . 0.0 105.956 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.97 152.4 45.58 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 120.852 1.66 . . . . 0.0 108.67 170.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -58.04 -35.05 70.74 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 169.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.97 -46.72 84.69 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.85 0.86 . . . . 0.0 109.848 174.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -61.49 -55.43 31.24 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.52 -54.53 31.46 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 122.343 -0.223 . . . . 0.0 111.018 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.3 p -59.56 -60.05 4.46 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 122.758 0.423 . . . . 0.0 110.815 -176.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.67 -44.1 69.4 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -177.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.33 -55.68 22.64 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -177.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.52 -31.96 66.57 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.011 0.525 . . . . 0.0 111.506 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.09 -56.32 8.05 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.162 0.437 . . . . 0.0 110.479 171.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -74.59 -24.93 58.96 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.611 -0.709 . . . . 0.0 112.452 -164.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.9 m -56.45 117.35 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 119.861 1.209 . . . . 0.0 108.881 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 54.85 15.5 6.54 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.512 1.053 . . . . 0.0 113.765 -173.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 42.04 46.59 3.67 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.485 1.514 . . . . 0.0 110.853 -166.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.449 ' CB ' ' HD3' ' A' ' 17' ' ' PRO . 34.6 mtpt -22.21 -65.03 0.06 OUTLIER Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 126.799 2.04 . . . . 0.0 115.473 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.449 ' HD3' ' CB ' ' A' ' 16' ' ' LYS . 35.0 Cg_exo -33.97 -47.05 0.48 Allowed 'Trans proline' 0 N--CA 1.455 -0.791 1 C-N-CA 127.012 5.141 . . . . 0.0 116.292 174.115 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.89 18.95 19.29 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 126.669 1.988 . . . . 0.0 112.962 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.0 m -135.83 -41.93 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-O 122.398 1.094 . . . . 0.0 112.065 170.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 53.12 -119.44 1.51 Allowed 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 126.662 1.985 . . . . 0.0 109.345 -177.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.86 37.29 3.89 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 172.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.544 ' HB2' ' HB3' ' A' ' 29' ' ' SER . . . -138.72 179.53 6.42 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.936 1.694 . . . . 0.0 108.222 -173.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.541 ' HB3' ' CD ' ' A' ' 24' ' ' PRO 0.265 3.0 tpm_? -90.67 -83.63 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.612 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 170.606 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.541 ' CD ' ' HB3' ' A' ' 23' ' ' ARG . 38.8 Cg_endo -76.32 117.87 4.75 Favored 'Trans proline' 0 N--CA 1.439 -1.723 0 C-N-CA 124.563 3.509 . . . . 0.0 112.385 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 75.99 173.31 0.24 Allowed 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 128.112 2.565 . . . . 0.0 114.163 153.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.1 m -72.52 63.17 0.57 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.815 1.646 . . . . 0.0 112.186 -177.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.513 ' NH2' ' HB1' ' A' ' 22' ' ' ALA . 48.9 mtm180 -86.79 -125.62 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 161.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.3 tpt -150.64 -73.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 165.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.544 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 6.7 t 63.35 -162.91 0.27 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.802 1.641 . . . . 0.0 111.702 171.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.5 t -159.93 -49.91 0.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 127.245 2.218 . . . . 0.0 108.109 178.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.8 ttm -66.98 -60.13 2.9 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.247 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.286 0 CA-C-O 117.995 -1.003 . . . . 0.0 108.986 -172.605 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.5 -29.39 50.22 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -173.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.3 mmt -44.08 -43.3 6.78 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 126.19 1.796 . . . . 0.0 111.137 171.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.7 98.33 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 122.125 -0.359 . . . . 0.0 110.831 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -69.73 -46.77 65.18 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 -51.4 -49.55 61.37 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.152 0.581 . . . . 0.0 109.865 173.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 71.0 m -60.63 -51.79 67.91 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.097 0.559 . . . . 0.0 109.9 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.9 -39.89 93.56 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -175.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -62.5 -52.96 61.4 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.06 -39.94 69.76 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.788 0.435 . . . . 0.0 110.564 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.15 -54.08 44.58 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.9 mmt-85 -62.07 -47.56 84.1 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 118.458 0.572 . . . . 0.0 111.603 176.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.77 -42.01 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 118.375 0.534 . . . . 0.0 110.177 -169.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.48 -26.88 31.61 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-O 119.781 -0.455 . . . . 0.0 112.003 173.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 51.73 40.0 26.58 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.778 1.631 . . . . 0.0 109.036 -164.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -155.12 -77.03 0.01 OUTLIER Pre-proline 0 CA--C 1.538 0.5 0 C-N-CA 125.644 1.577 . . . . 0.0 114.327 -167.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -57.2 -63.44 0.16 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 124.809 3.673 . . . . 0.0 111.409 -156.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.26 13.23 6.7 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 112.055 -2.338 . . . . 0.0 112.24 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.9 t -92.02 -52.9 9.46 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-O 122.903 1.335 . . . . 0.0 108.817 168.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -74.55 -55.29 6.09 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 112.908 -1.951 . . . . 0.0 109.098 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.91 -70.82 1.16 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -175.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.74 55.35 2.98 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 121.995 -0.709 . . . . 0.0 110.909 -172.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.543 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.0 OUTLIER -70.34 -71.45 0.27 Allowed Pre-proline 0 N--CA 1.452 -0.348 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 164.448 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.543 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 44.2 Cg_endo -76.59 -134.35 0.01 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.939 1 C-N-CA 125.705 4.27 . . . . 0.0 107.941 162.254 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 69.44 -62.96 0.4 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 127.227 2.211 . . . . 0.0 111.975 169.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.1 m -145.56 21.39 1.5 Allowed 'General case' 0 C--N 1.332 -0.184 0 O-C-N 121.719 -0.613 . . . . 0.0 111.83 170.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -137.48 -140.83 0.15 Allowed 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 162.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -163.68 -50.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 128.936 2.894 . . . . 0.0 105.889 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 m -174.71 171.63 3.17 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 131.177 3.791 . . . . 0.0 105.004 160.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.2 t -136.38 -59.02 0.74 Allowed 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 123.66 0.784 . . . . 0.0 109.104 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.4 mtp -145.48 -58.16 0.33 Allowed 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 104.721 -2.325 . . . . 0.0 104.721 163.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.437 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.035 145.816 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.6 mmm . . . . . 0 N--CA 1.473 0.686 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.17 19.08 0.1 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.923 1.082 . . . . 0.0 113.923 -171.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.5 mtt -61.8 -46.12 90.93 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 167.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.22 -48.89 75.57 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 43.8 ttp -59.39 -57.64 12.09 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.506 0.722 . . . . 0.0 110.266 -177.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -46.0 92.34 Favored 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 120.542 -0.463 . . . . 0.0 109.894 -175.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 65.2 m -52.78 -59.45 4.48 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.946 0.498 . . . . 0.0 110.997 175.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 t -62.93 -39.98 96.25 Favored 'General case' 0 C--N 1.339 0.11 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -173.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -61.48 -54.13 47.33 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.26 -47.49 75.39 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.278 0.631 . . . . 0.0 110.387 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.69 -55.34 30.81 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -55.37 -47.48 75.73 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.015 0.37 . . . . 0.0 110.965 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.8 t -56.33 -49.32 77.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.042 0.537 . . . . 0.0 110.732 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.21 -41.71 99.57 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 174.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.02 58.78 4.9 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.669 1.188 . . . . 0.0 110.399 -170.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . 27.3 tptp -149.09 -61.44 0.02 OUTLIER Pre-proline 0 N--CA 1.451 -0.407 0 C-N-CA 126.725 2.01 . . . . 0.0 107.702 167.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.477 ' HD3' ' HB3' ' A' ' 16' ' ' LYS . 82.5 Cg_exo -40.22 -59.52 0.71 Allowed 'Trans proline' 0 N--CA 1.449 -1.098 1 C-N-CA 126.128 4.552 . . . . 0.0 112.114 158.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.46 40.78 0.37 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 113.888 -1.505 . . . . 0.0 111.3 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.3 t -148.03 -54.37 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 C-N-CA 125.73 1.612 . . . . 0.0 108.101 174.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 70.62 -53.55 0.66 Allowed 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 129.941 3.296 . . . . 0.0 111.263 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.3 59.02 0.5 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 106.456 -2.658 . . . . 0.0 106.456 -162.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.41 60.18 1.54 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.812 1.245 . . . . 0.0 112.219 -165.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.552 ' HB3' ' CD ' ' A' ' 24' ' ' PRO . 9.7 tpp85 -87.94 -82.74 0.03 OUTLIER Pre-proline 0 CA--C 1.539 0.538 0 C-N-CA 124.099 0.96 . . . . 0.0 108.482 170.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.552 ' CD ' ' HB3' ' A' ' 23' ' ' ARG . 21.3 Cg_endo -65.51 113.48 2.51 Favored 'Trans proline' 0 N--CA 1.436 -1.868 0 C-N-CA 124.608 3.539 . . . . 0.0 109.904 177.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -168.27 167.52 12.08 Favored 'General case' 0 C--N 1.314 -0.961 0 C-N-CA 129.154 2.981 . . . . 0.0 106.912 -177.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -71.68 69.68 0.66 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.082 0.953 . . . . 0.0 112.347 -172.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -72.33 -50.43 26.88 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-O 122.97 1.367 . . . . 0.0 109.18 170.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.9 ptm -112.27 -97.15 0.43 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 103.947 -2.612 . . . . 0.0 103.947 151.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.2 t -81.08 -147.57 0.06 Allowed 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 138.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.9 p -68.07 179.6 1.48 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 154.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -146.62 -55.89 0.26 Allowed 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 175.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 C-N-CA 126.835 2.054 . . . . 0.0 105.459 172.748 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.1 -2.69 5.91 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -169.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -43.6 70.37 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 124.433 1.093 . . . . 0.0 108.833 164.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.46 -48.27 82.29 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.708 0.403 . . . . 0.0 110.173 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 16.3 tpt -60.63 -49.8 76.07 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.981 0.513 . . . . 0.0 109.797 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 56.1 ttt85 -51.74 -51.69 54.25 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.898 0.479 . . . . 0.0 109.941 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.9 m -59.9 -52.04 67.11 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.184 0.594 . . . . 0.0 110.548 -177.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -42.81 99.46 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -59.39 -47.78 84.12 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 122.022 -0.424 . . . . 0.0 109.901 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.91 -48.06 83.24 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.562 0.345 . . . . 0.0 110.943 176.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.24 83.84 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.514 0.725 . . . . 0.0 111.442 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 68.7 mtp85 -74.39 -71.48 0.34 Allowed 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 125.245 1.418 . . . . 0.0 110.463 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 p 32.49 -108.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 125.843 1.657 . . . . 0.0 109.462 -152.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.9 54.67 3.44 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-N 120.267 1.394 . . . . 0.0 111.071 172.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 18.95 64.41 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 128.593 2.757 . . . . 0.0 113.497 -167.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.551 ' HB3' ' HD3' ' A' ' 17' ' ' PRO 0.295 39.7 ttmt -133.24 -78.31 0.01 OUTLIER Pre-proline 0 CA--C 1.542 0.657 0 CA-C-O 118.028 -0.987 . . . . 0.0 113.56 -171.089 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.551 ' HD3' ' HB3' ' A' ' 16' ' ' LYS . 11.3 Cg_exo -28.68 -66.49 0.06 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.772 1 C-N-CA 128.016 5.811 . . . . 0.0 116.385 -169.837 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.72 49.95 1.11 Allowed 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.23 -1.35 . . . . 0.0 109.603 175.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 77.3 t -127.03 -54.94 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 C-N-CA 125.511 1.525 . . . . 0.0 108.881 167.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -28.74 -66.88 0.08 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 129.532 3.133 . . . . 0.0 111.513 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.05 24.23 16.93 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 123.966 0.794 . . . . 0.0 112.464 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.67 75.73 2.66 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 117.908 0.854 . . . . 0.0 111.014 -172.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.616 ' HB2' ' HD3' ' A' ' 24' ' ' PRO 0.263 0.0 OUTLIER -133.22 -83.28 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.42 0 C-N-CA 123.884 0.873 . . . . 0.0 108.805 165.449 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.616 ' HD3' ' HB2' ' A' ' 23' ' ' ARG . 27.5 Cg_endo -81.9 -173.53 1.8 Allowed 'Trans proline' 0 N--CA 1.438 -1.743 1 C-N-CA 126.335 4.69 . . . . 0.0 109.643 173.811 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.89 41.85 3.19 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 126.569 1.947 . . . . 0.0 107.933 170.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.5 p -174.99 85.75 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.1 0.96 . . . . 0.0 109.088 -167.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.421 ' HB2' HH11 ' A' ' 27' ' ' ARG . 0.0 OUTLIER -107.12 -124.76 0.24 Allowed 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 165.191 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.7 ptp -57.77 -46.03 85.11 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 123.272 0.629 . . . . 0.0 110.088 174.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.9 p -121.82 -167.83 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 124.98 1.312 . . . . 0.0 109.217 167.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 44.2 t -69.08 -57.58 5.23 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.587 0.708 . . . . 0.0 109.726 172.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 58.4 ttm -76.54 -57.85 3.62 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.638 -174.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 116.753 -1.594 . . . . 0.0 107.337 176.404 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.5 ptt? . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 118.817 -0.611 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.44 -9.06 22.28 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -169.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.0 tpt -51.95 -37.05 51.42 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 123.703 0.801 . . . . 0.0 109.734 167.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.29 -48.9 73.39 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.35 0.26 . . . . 0.0 110.513 174.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.3 mmt -66.39 -46.12 77.71 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.8 mtp85 -53.09 -46.87 68.84 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 175.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.4 m -64.91 -48.77 72.98 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.082 0.553 . . . . 0.0 110.421 -178.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -44.5 90.27 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -62.47 -48.73 78.33 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 122.954 0.501 . . . . 0.0 109.935 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.83 -42.9 68.97 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.859 0.464 . . . . 0.0 110.308 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.65 -46.4 90.45 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 119.298 -0.382 . . . . 0.0 110.608 175.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.4 mmt-85 -55.43 -52.36 63.84 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 118.768 0.713 . . . . 0.0 110.2 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.8 t -55.31 -47.24 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.37 -27.8 18.1 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 123.862 0.744 . . . . 0.0 112.729 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.29 24.19 13.23 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.028 0.931 . . . . 0.0 112.153 -177.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.505 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 32.0 mmtm -96.82 -88.19 0.0 OUTLIER Pre-proline 0 CA--C 1.543 0.704 0 CA-C-O 118.774 -0.631 . . . . 0.0 111.918 177.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 16' ' ' LYS . 35.9 Cg_endo -58.87 126.93 22.57 Favored 'Trans proline' 0 N--CA 1.438 -1.759 1 C-N-CA 126.365 4.71 . . . . 0.0 109.116 -175.087 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 59.11 22.02 10.08 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 128.055 2.542 . . . . 0.0 112.647 -175.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.2 t -129.73 -115.16 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 176.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.3 -43.24 53.49 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.266 1.027 . . . . 0.0 108.823 176.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -37.06 -47.68 1.37 Allowed Glycine 0 CA--C 1.528 0.863 0 C-N-CA 125.783 1.659 . . . . 0.0 112.818 171.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.68 55.07 1.93 Allowed 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.373 1.069 . . . . 0.0 112.063 -174.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.544 ' CB ' ' CD ' ' A' ' 24' ' ' PRO 0.263 2.5 tpm_? -114.87 -82.71 0.0 OUTLIER Pre-proline 0 N--CA 1.451 -0.385 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 165.041 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 42.7 Cg_endo -75.3 -152.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.321 1 C-N-CA 125.71 4.273 . . . . 0.0 108.343 169.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.65 -20.16 66.19 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -169.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 p -75.61 43.0 0.24 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.033 1.333 . . . . 0.0 113.913 -164.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.9 mtt85 -64.46 -48.62 74.58 Favored 'General case' 0 CA--C 1.519 -0.241 0 O-C-N 121.031 -1.043 . . . . 0.0 111.453 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.9 tpt 63.52 -68.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 129.088 2.955 . . . . 0.0 108.542 -169.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.6 m 71.97 161.94 0.25 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 126.973 2.109 . . . . 0.0 112.262 175.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 48.9 t -134.14 -43.79 0.79 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 127.493 2.317 . . . . 0.0 109.765 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 28.1 ttt -147.14 -59.09 0.27 Allowed 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 125.471 1.509 . . . . 0.0 106.978 176.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.417 0 N-CA-C 106.34 -1.726 . . . . 0.0 106.34 142.165 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.03 -6.62 9.12 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -176.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.7 mtp -48.84 -45.65 41.02 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 125.17 1.388 . . . . 0.0 109.779 163.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.26 -48.81 79.71 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.607 0.363 . . . . 0.0 110.278 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -48.19 82.81 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.282 0.633 . . . . 0.0 109.593 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -53.86 -53.35 53.79 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 122.846 0.458 . . . . 0.0 109.934 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.1 m -57.07 -52.88 63.5 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.367 -177.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.94 -41.62 99.55 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -177.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -62.2 -40.43 96.06 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.86 92.24 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.871 0.759 . . . . 0.0 110.81 174.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.1 99.39 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.898 -0.501 . . . . 0.0 110.842 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -60.42 -70.56 0.17 Allowed 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.111 0.564 . . . . 0.0 109.592 169.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.7 m 31.13 -121.77 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 125.067 1.347 . . . . 0.0 109.085 -144.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.37 49.03 2.93 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-N 120.619 1.554 . . . . 0.0 111.768 173.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 34.84 73.88 0.07 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 127.413 2.285 . . . . 0.0 111.811 -168.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' CB ' ' HD3' ' A' ' 17' ' ' PRO 0.269 57.0 mttm -120.74 -71.09 0.02 OUTLIER Pre-proline 0 CA--C 1.544 0.717 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -179.258 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.433 ' HD3' ' CB ' ' A' ' 16' ' ' LYS . 32.8 Cg_exo -46.39 -53.83 5.5 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 124.84 3.693 . . . . 0.0 112.008 177.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.49 26.38 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 126.033 1.733 . . . . 0.0 113.13 175.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.5 t -137.01 -58.74 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 C-N-CA 125.493 1.517 . . . . 0.0 108.428 174.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 47.3 mtm105 -53.28 -43.62 67.61 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 113.253 -1.794 . . . . 0.0 110.043 173.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.67 22.52 35.22 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 118.98 -0.9 . . . . 0.0 112.447 175.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -158.88 44.21 0.27 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.053 1.426 . . . . 0.0 110.989 -176.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.541 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.9 tpm_? -155.03 -73.12 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 171.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 16.1 Cg_endo -77.39 -154.52 0.05 OUTLIER 'Trans proline' 0 N--CA 1.438 -1.784 0 C-N-CA 124.79 3.66 . . . . 0.0 105.992 146.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.97 96.62 2.99 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 123.676 0.79 . . . . 0.0 109.163 175.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 m -18.99 116.15 0.02 OUTLIER 'General case' 0 C--O 1.231 0.117 0 C-N-CA 126.776 2.03 . . . . 0.0 113.916 168.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 85.28 -55.03 0.09 Allowed 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 125.99 1.716 . . . . 0.0 110.731 166.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.3 tpt -56.82 -69.61 0.15 Allowed 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 127.487 2.315 . . . . 0.0 109.782 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.3 p -70.0 -49.45 51.38 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 122.814 1.292 . . . . 0.0 111.423 -176.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.9 p 176.44 -172.36 0.09 Allowed 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 128.838 2.855 . . . . 0.0 108.052 -166.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 36.3 ttm 56.94 -134.43 1.25 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.551 1.14 . . . . 0.0 109.103 176.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.201 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 -178.861 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.6 mmt . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.72 133.95 51.23 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 165.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 60.9 ttm -50.6 -37.13 38.35 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 174.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.4 93.85 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.994 0.917 . . . . 0.0 110.663 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 7.5 tmm? -65.29 -52.67 52.62 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -54.18 -52.8 60.03 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 119.687 -0.197 . . . . 0.0 111.449 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.2 p -60.6 -57.88 10.82 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 122.8 0.44 . . . . 0.0 110.596 -176.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.93 -45.64 78.72 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -177.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -58.77 -53.41 58.72 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 121.962 -0.461 . . . . 0.0 110.077 -178.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.14 -43.72 74.45 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.674 0.39 . . . . 0.0 110.939 177.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.78 -53.9 52.93 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 122.168 -0.332 . . . . 0.0 110.358 176.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -60.24 -42.41 95.2 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 124.69 1.196 . . . . 0.0 111.468 -177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.2 t -48.05 -55.52 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 123.768 0.827 . . . . 0.0 110.243 176.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.24 -26.11 64.66 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 176.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 49.59 37.51 12.71 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 126.438 1.895 . . . . 0.0 109.268 -160.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.485 ' H ' ' HD2' ' A' ' 17' ' ' PRO . 1.1 mmpt? -141.21 -58.24 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -163.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.485 ' HD2' ' H ' ' A' ' 16' ' ' LYS . 86.3 Cg_exo -39.59 -64.49 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 1 C-N-CA 125.868 4.378 . . . . 0.0 113.723 -175.476 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.84 17.77 2.23 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 113.172 -1.831 . . . . 0.0 112.445 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.9 t -102.68 -50.46 9.74 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 C-N-CA 124.563 1.145 . . . . 0.0 108.323 167.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.6 mtt85 -54.02 -63.11 1.26 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 113.493 -1.685 . . . . 0.0 108.375 168.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.69 57.95 1.11 Allowed Glycine 0 C--N 1.336 0.549 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.91 7.06 22.39 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.605 ' HB2' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -68.68 -76.23 0.11 Allowed Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 124.199 0.999 . . . . 0.0 111.33 179.694 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.605 ' HD3' ' HB2' ' A' ' 23' ' ' ARG . 85.1 Cg_endo -72.25 -171.17 0.66 Allowed 'Trans proline' 0 N--CA 1.439 -1.697 1 C-N-CA 126.38 4.72 . . . . 0.0 110.112 176.487 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.33 49.05 1.36 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 113.894 -1.503 . . . . 0.0 111.803 -164.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.7 m -72.97 57.92 0.46 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.941 1.296 . . . . 0.0 110.263 177.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.5 mtt85 -155.78 -51.16 0.08 Allowed 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 127.446 2.298 . . . . 0.0 108.518 -164.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.9 tpt -69.55 -76.87 0.09 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 112.36 -2.2 . . . . 0.0 105.676 153.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.5 t -173.09 154.91 2.88 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.672 1.189 . . . . 0.0 108.135 156.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 38.5 t -170.66 -80.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 125.736 1.614 . . . . 0.0 109.45 167.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 57.0 tpp -71.26 -38.78 71.86 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 177.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.303 0 N-CA-C 103.29 -2.855 . . . . 0.0 103.29 156.491 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.92 54.25 1.84 Allowed 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.597 1.159 . . . . 0.0 110.243 -175.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.3 ttt -53.88 -29.97 43.94 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 168.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.2 85.83 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.155 0.582 . . . . 0.0 110.473 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -61.5 -53.72 52.66 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 83.2 mmt-85 -51.98 -47.18 64.99 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.514 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.8 m -60.72 -55.25 35.46 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.223 0.609 . . . . 0.0 111.076 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.79 -44.49 96.76 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -176.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -54.7 -55.48 29.29 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.771 0.828 . . . . 0.0 109.43 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.72 -37.88 74.33 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.064 0.546 . . . . 0.0 111.777 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -27.98 65.19 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 118.978 -0.534 . . . . 0.0 112.04 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -98.79 -54.5 2.99 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 118.547 0.612 . . . . 0.0 111.847 -176.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.6 t -66.14 154.11 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.49 -56.8 2.48 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -173.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.27 52.48 0.76 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.155 1.782 . . . . 0.0 111.747 -174.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -170.29 -64.35 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.365 0 C-N-CA 128.44 2.696 . . . . 0.0 106.169 -177.764 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' CD ' ' CB ' ' A' ' 16' ' ' LYS . 69.5 Cg_exo -36.08 -56.97 0.59 Allowed 'Trans proline' 0 N--CA 1.45 -1.039 1 C-N-CA 126.092 4.528 . . . . 0.0 113.766 162.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.1 7.2 19.5 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 113.655 -1.611 . . . . 0.0 113.266 -176.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.9 t -116.02 5.8 7.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 125.759 1.624 . . . . 0.0 110.689 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -53.18 142.9 19.41 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 121.873 0.844 . . . . 0.0 111.037 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.09 -27.65 8.1 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-N 114.084 -1.417 . . . . 0.0 112.003 -168.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 76.47 144.69 0.08 Allowed 'General case' 0 C--N 1.342 0.264 0 C-N-CA 126.654 1.982 . . . . 0.0 109.816 -173.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.621 ' HB2' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -157.14 -72.19 0.02 OUTLIER Pre-proline 0 N--CA 1.454 -0.254 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 -177.27 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.621 ' HD3' ' HB2' ' A' ' 23' ' ' ARG . 10.9 Cg_endo -80.87 -164.67 0.29 Allowed 'Trans proline' 0 N--CA 1.431 -2.152 1 C-N-CA 125.472 4.115 . . . . 0.0 106.881 147.214 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.68 132.71 24.4 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 126.882 2.073 . . . . 0.0 106.607 168.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 m -76.37 43.75 0.32 Allowed 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -163.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -42.44 81.74 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-O 122.454 1.121 . . . . 0.0 109.8 165.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.02 -63.24 0.08 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 112.704 -2.044 . . . . 0.0 109.475 174.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 m -168.08 171.02 9.9 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 127.288 2.235 . . . . 0.0 107.145 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 p 51.15 -168.03 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.604 1.562 . . . . 0.0 110.813 -168.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.7 ptt? -139.55 134.62 32.43 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 165.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.429 0 C-N-CA 127.585 2.354 . . . . 0.0 105.391 -174.848 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 mmt . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.19 61.02 3.88 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.564 1.146 . . . . 0.0 110.13 -173.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 61.6 ttp -52.18 -34.15 43.9 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 163.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.61 -54.75 42.89 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.804 0.441 . . . . 0.0 109.98 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 42.6 tpp -60.7 -49.92 75.57 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.986 0.514 . . . . 0.0 109.629 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -54.64 -47.35 73.61 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.592 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.9 m -63.44 -49.39 73.87 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.642 0.377 . . . . 0.0 110.75 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.62 -42.68 97.34 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 -178.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -61.42 -48.62 80.38 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.776 -0.578 . . . . 0.0 109.989 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.0 -43.1 69.77 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 122.266 -0.271 . . . . 0.0 110.389 175.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.75 -49.2 78.46 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.845 -0.598 . . . . 0.0 110.678 175.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? -52.95 -46.88 68.36 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 119.305 0.957 . . . . 0.0 110.416 176.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.2 t -60.7 -51.69 70.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 122.636 0.374 . . . . 0.0 110.318 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.57 -36.78 65.31 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 176.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.52 51.38 1.24 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.664 1.185 . . . . 0.0 110.467 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.451 ' HB2' ' CD ' ' A' ' 17' ' ' PRO . 58.3 mttp -136.44 -65.39 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.628 0 C-N-CA 126.794 2.038 . . . . 0.0 106.863 171.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.451 ' CD ' ' HB2' ' A' ' 16' ' ' LYS . 95.8 Cg_exo -41.01 -52.79 3.22 Favored 'Trans proline' 0 N--CA 1.451 -0.974 1 C-N-CA 126.338 4.692 . . . . 0.0 112.839 159.584 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.07 24.21 0.96 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 113.504 -1.68 . . . . 0.0 112.119 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.0 t -119.24 -59.06 2.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 C-N-CA 125.103 1.361 . . . . 0.0 107.848 165.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? 64.11 -68.06 0.1 Allowed 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 129.521 3.128 . . . . 0.0 110.05 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -150.78 17.7 0.96 Allowed Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.23 0.919 . . . . 0.0 112.19 174.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.69 164.69 24.38 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 117.713 0.756 . . . . 0.0 109.986 175.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.553 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 3.4 tpm_? -67.58 -71.2 0.34 Allowed Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.553 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 40.1 Cg_endo -80.47 -144.71 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.261 1 C-N-CA 126.142 4.562 . . . . 0.0 107.829 166.825 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.46 165.04 12.72 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.471 -0.768 . . . . 0.0 110.296 170.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 m -71.0 62.78 0.3 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.029 1.332 . . . . 0.0 111.185 176.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.1 ptt-85 -61.49 -39.56 91.4 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 124.984 1.314 . . . . 0.0 112.692 -176.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 17.9 ttm 178.83 -61.65 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 129.48 3.112 . . . . 0.0 106.682 -172.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.0 m 73.1 163.19 0.27 Allowed 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 127.544 2.338 . . . . 0.0 111.598 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 38.7 t -146.88 -79.39 0.16 Allowed 'General case' 0 C--O 1.227 -0.088 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.22 174.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -67.79 -42.52 81.52 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 166.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.325 0 C-N-CA 128.421 2.689 . . . . 0.0 103.939 171.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.4 mmm . . . . . 0 N--CA 1.472 0.662 0 N-CA-C 107.807 -1.182 . . . . 0.0 107.807 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.71 78.0 2.67 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -46.9 -30.42 2.52 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.446 166.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.53 -46.93 83.75 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 122.992 0.517 . . . . 0.0 110.193 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 37.2 ttm -63.11 -47.14 84.09 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 178.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -56.37 -45.12 80.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.803 177.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -58.86 -54.11 50.79 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.554 0.742 . . . . 0.0 109.715 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.89 -48.66 80.8 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.492 ' O ' HG13 ' A' ' 13' ' ' VAL . 60.9 t80 -52.79 -52.02 58.43 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.892 1.277 . . . . 0.0 109.934 -173.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.75 -33.27 55.2 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.676 0.79 . . . . 0.0 112.504 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.79 -48.35 14.98 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.95 0.881 . . . . 0.0 109.649 173.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -59.7 -28.71 67.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.509 1.923 . . . . 0.0 112.2 -172.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 9' ' ' PHE . 29.9 m -34.23 -46.6 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 125.79 1.636 . . . . 0.0 113.159 -178.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.32 36.01 1.77 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 109.915 -1.274 . . . . 0.0 109.915 168.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 42.96 48.23 5.06 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.633 1.573 . . . . 0.0 110.469 -172.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.497 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . 56.6 tttm -32.3 -60.13 0.36 Allowed Pre-proline 0 CA--C 1.539 0.521 0 C-N-CA 126.847 2.059 . . . . 0.0 114.026 -173.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.497 ' HD3' ' HB3' ' A' ' 16' ' ' LYS . 20.2 Cg_exo -36.92 -44.05 1.05 Allowed 'Trans proline' 0 N--CA 1.454 -0.834 1 C-N-CA 126.738 4.959 . . . . 0.0 116.264 175.181 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.67 -19.41 52.58 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 113.29 -1.777 . . . . 0.0 113.795 -173.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.7 m -116.13 -41.63 3.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -173.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 61.45 -69.16 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 129.284 3.033 . . . . 0.0 111.404 176.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.33 26.02 2.84 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 124.624 1.107 . . . . 0.0 110.99 173.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 55.52 -158.93 0.21 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.175 1.39 . . . . 0.0 109.351 -166.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.569 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -158.99 -69.65 0.02 OUTLIER Pre-proline 0 CA--C 1.531 0.242 0 O-C-N 121.872 -0.518 . . . . 0.0 110.218 -168.074 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.569 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 89.4 Cg_endo -75.59 -154.03 0.04 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.535 1 C-N-CA 125.909 4.406 . . . . 0.0 108.843 169.158 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 66.79 -67.96 0.15 Allowed 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 127.377 2.271 . . . . 0.0 109.079 -166.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m 176.16 72.24 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 128.095 2.558 . . . . 0.0 107.182 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -135.2 -82.91 0.42 Allowed 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 122.069 0.938 . . . . 0.0 110.009 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 12.3 ttt -82.12 -66.72 0.85 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 113.842 -1.526 . . . . 0.0 107.259 168.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.9 p -101.44 -159.64 0.74 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.048 1.339 . . . . 0.0 108.647 171.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.7 p -132.65 -135.36 0.18 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.774 1.229 . . . . 0.0 109.284 -166.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -47.98 -35.66 11.25 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.735 1.152 . . . . 0.0 110.797 175.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.34 0 N-CA-C 105.372 -2.085 . . . . 0.0 105.372 155.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 mmt . . . . . 0 N--CA 1.471 0.596 0 CA-C-O 118.322 -0.847 . . . . 0.0 108.724 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.12 -130.11 0.09 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.758 1.223 . . . . 0.0 109.917 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.8 tmm? -39.59 -47.93 2.0 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 127.463 2.305 . . . . 0.0 112.487 -175.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.81 -45.77 74.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.552 0.341 . . . . 0.0 111.23 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.8 ttt -69.15 -44.25 72.69 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.037 0.535 . . . . 0.0 109.606 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.3 mmp_? -51.46 -49.19 62.23 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.6 m -63.6 -52.19 62.01 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.798 0.839 . . . . 0.0 110.72 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.28 -44.65 84.19 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -178.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -60.97 -51.4 69.42 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 122.076 -0.39 . . . . 0.0 110.147 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.87 -26.91 64.69 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.037 0.935 . . . . 0.0 111.922 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.86 -62.44 1.54 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.277 0.489 . . . . 0.0 110.185 169.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.8 mtt-85 -57.85 -39.87 78.74 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 124.809 1.244 . . . . 0.0 112.348 -169.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.9 p -51.86 -44.05 36.47 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 C-N-CA 123.331 0.653 . . . . 0.0 110.66 -177.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.88 -36.17 10.56 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.453 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 53.65 42.55 31.83 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.027 1.331 . . . . 0.0 109.153 -169.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -156.35 -71.36 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.472 0 C-N-CA 125.223 1.409 . . . . 0.0 112.454 -163.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -60.84 -79.42 0.01 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 125.015 3.81 . . . . 0.0 111.655 -164.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.1 46.95 0.33 Allowed 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 123.813 0.845 . . . . 0.0 110.398 170.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.7 t -135.46 -76.65 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 172.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -60.25 -46.7 88.9 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 113.608 -1.633 . . . . 0.0 108.888 172.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.16 33.77 5.07 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.098 0.856 . . . . 0.0 111.49 172.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.1 103.37 0.95 Allowed 'General case' 0 C--N 1.341 0.204 0 CA-C-N 118.927 1.363 . . . . 0.0 109.546 174.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.566 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -162.62 -71.68 0.01 OUTLIER Pre-proline 0 CA--C 1.53 0.204 0 C-N-CA 125.602 1.561 . . . . 0.0 107.613 171.245 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 56.2 Cg_endo -77.7 -162.32 0.17 Allowed 'Trans proline' 0 N--CA 1.44 -1.648 1 C-N-CA 125.958 4.439 . . . . 0.0 108.31 165.362 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.72 -175.78 1.79 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.878 0.871 . . . . 0.0 109.929 172.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -57.32 99.11 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.363 0.665 . . . . 0.0 111.574 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -88.25 -127.27 0.06 Allowed 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 126.089 1.755 . . . . 0.0 107.223 171.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.9 tpt -105.51 -75.68 0.62 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 124.837 1.255 . . . . 0.0 109.578 -174.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.7 m -171.73 179.05 2.9 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 129.018 2.927 . . . . 0.0 104.984 176.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.0 t -60.84 146.2 47.22 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 118.643 0.656 . . . . 0.0 110.474 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -167.0 -62.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 128.028 2.531 . . . . 0.0 104.882 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.453 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 142.689 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.9 mmt . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.29 36.59 0.24 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.575 1.15 . . . . 0.0 111.812 -174.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 83.2 mtp -56.44 -35.92 68.41 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.843 0.857 . . . . 0.0 108.725 170.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.35 -53.97 46.72 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.933 174.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 10.4 ttt -59.76 -45.66 91.57 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 123.112 0.565 . . . . 0.0 109.73 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -59.81 -40.3 87.91 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.3 m -66.83 -49.3 66.18 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -44.06 -52.85 6.83 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 124.116 0.966 . . . . 0.0 109.852 166.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -62.62 -50.18 72.26 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.855 0.862 . . . . 0.0 109.593 -172.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.6 -50.0 66.57 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.061 0.544 . . . . 0.0 110.363 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.93 -50.83 72.03 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 178.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -48.99 71.43 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.724 1.209 . . . . 0.0 109.636 -179.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.0 t -60.21 -50.79 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 123.542 0.737 . . . . 0.0 110.401 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.17 -36.19 67.51 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 175.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.45 54.47 2.05 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.48 1.112 . . . . 0.0 110.006 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 9.3 mtmp? -136.98 -66.69 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.456 0 C-N-CA 126.124 1.77 . . . . 0.0 107.912 171.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.407 ' CD ' ' CB ' ' A' ' 16' ' ' LYS . 95.7 Cg_exo -39.71 -56.02 1.48 Allowed 'Trans proline' 0 N--CA 1.452 -0.968 1 C-N-CA 126.044 4.496 . . . . 0.0 112.385 163.401 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.98 13.84 0.98 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 112.873 -1.967 . . . . 0.0 113.045 -178.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 72.7 t -133.03 0.23 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 125.526 1.53 . . . . 0.0 111.518 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.4 mtp-105 -43.73 -46.09 7.41 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 125.905 1.682 . . . . 0.0 112.906 -173.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.11 -51.92 33.49 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.622 -0.591 . . . . 0.0 111.622 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.69 63.7 6.95 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.556 ' CB ' ' CD ' ' A' ' 24' ' ' PRO 0.264 0.4 OUTLIER -70.13 -78.34 0.06 OUTLIER Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 170.243 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.556 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 50.6 Cg_endo -77.92 -158.96 0.09 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.478 1 C-N-CA 125.98 4.453 . . . . 0.0 108.419 170.298 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 68.56 -61.37 0.41 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 127.36 2.264 . . . . 0.0 112.693 171.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.8 p -130.7 21.84 5.05 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.287 1.035 . . . . 0.0 111.717 -175.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 37.2 ttt-85 -154.16 -136.46 0.06 Allowed 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 104.881 -2.266 . . . . 0.0 104.881 171.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.6 -52.92 1.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 124.282 1.033 . . . . 0.0 109.809 173.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.2 p -156.37 -159.78 0.92 Allowed 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.794 1.637 . . . . 0.0 107.146 174.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.1 t -103.61 -61.37 1.43 Allowed 'General case' 0 C--O 1.23 0.067 0 CA-C-N 118.965 0.802 . . . . 0.0 109.921 -172.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 29.0 ttm -153.75 -53.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 126.357 1.863 . . . . 0.0 106.38 -175.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.449 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 137.646 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.23 24.12 0.06 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.888 1.222 . . . . 0.0 113.851 -170.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -41.21 72.65 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 168.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.63 -49.28 73.27 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.953 0.501 . . . . 0.0 110.247 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 45.9 ttp -59.8 -49.87 76.04 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.506 0.722 . . . . 0.0 109.697 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.415 HH22 ' CB ' ' A' ' 29' ' ' SER . 6.6 mmp_? -59.35 -37.46 77.91 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.955 -0.466 . . . . 0.0 112.037 178.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.9 m -65.02 -48.12 75.02 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -47.48 -51.09 21.55 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.906 0.883 . . . . 0.0 109.349 170.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -62.73 -52.03 64.83 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -173.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.5 -50.71 62.24 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.019 0.527 . . . . 0.0 110.676 176.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.65 -49.48 76.33 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.394 0.278 . . . . 0.0 110.829 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -63.73 -43.58 96.1 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.058 0.543 . . . . 0.0 111.273 -177.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.3 t -57.92 -46.47 87.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 173.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.96 48.33 2.01 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 118.408 0.549 . . . . 0.0 111.99 173.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.12 -123.36 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 128.014 2.526 . . . . 0.0 104.944 -174.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -147.87 156.1 44.33 Favored Pre-proline 0 N--CA 1.434 -1.261 0 N-CA-C 104.834 -2.284 . . . . 0.0 104.834 144.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -80.63 -93.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.508 1 C-N-CA 127.317 5.345 . . . . 0.0 105.976 148.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.48 144.64 50.79 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 101.608 -3.478 . . . . 0.0 101.608 139.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 m -76.41 94.23 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 124.162 1.934 . . . . 0.0 110.136 -145.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.24 -77.46 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 131.598 3.959 . . . . 0.0 111.221 173.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.06 -43.68 72.99 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.12 61.0 2.56 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.325 0.65 . . . . 0.0 112.219 -171.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.548 ' CB ' ' CD ' ' A' ' 24' ' ' PRO 0.252 1.1 ptt85 -153.2 -78.22 0.01 OUTLIER Pre-proline 0 CA--C 1.54 0.581 0 CA-C-N 118.34 0.518 . . . . 0.0 111.283 165.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.548 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 45.1 Cg_endo -80.63 -159.39 0.11 Allowed 'Trans proline' 0 N--CA 1.445 -1.339 1 C-N-CA 127.224 5.283 . . . . 0.0 109.149 179.593 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.89 62.71 1.13 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.201 1.001 . . . . 0.0 108.812 168.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m 16.04 81.08 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 129.215 3.006 . . . . 0.0 113.434 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.04 -138.35 0.37 Allowed 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 124.026 0.931 . . . . 0.0 108.706 -169.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 22.4 ptm -104.62 -50.68 3.24 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 125.514 1.525 . . . . 0.0 109.826 -176.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.415 ' CB ' HH22 ' A' ' 6' ' ' ARG . 14.2 m -158.24 156.58 30.99 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 126.158 1.783 . . . . 0.0 107.975 171.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 45.1 t -105.22 -52.05 2.91 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 124.894 1.278 . . . . 0.0 107.696 167.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -133.02 -63.5 0.77 Allowed 'General case' 0 CA--C 1.527 0.087 0 N-CA-C 105.731 -1.952 . . . . 0.0 105.731 157.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.843 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 142.291 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.39 -67.02 0.3 Allowed 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 122.415 1.102 . . . . 0.0 112.296 -168.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.6 ttp -51.13 -53.27 35.98 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 113.068 -1.878 . . . . 0.0 109.889 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.15 -52.11 65.54 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.966 0.506 . . . . 0.0 110.36 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.9 mtt -61.7 -45.04 95.7 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 122.765 0.426 . . . . 0.0 110.555 -178.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -58.64 -40.88 84.66 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.938 -0.477 . . . . 0.0 111.281 175.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.9 m -64.56 -48.61 74.38 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.81 -49.77 37.39 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 124.194 0.998 . . . . 0.0 109.19 171.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -62.63 -51.06 68.76 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.68 0.792 . . . . 0.0 109.519 -174.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.48 -52.26 60.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.977 0.511 . . . . 0.0 110.405 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.39 -53.99 51.01 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.96 0.409 . . . . 0.0 110.792 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -53.35 -51.9 60.95 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.919 1.688 . . . . 0.0 109.666 -177.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.9 t -59.12 -56.25 18.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 O-C-N 121.719 -0.613 . . . . 0.0 109.795 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.33 -33.35 16.01 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 123.464 0.554 . . . . 0.0 112.063 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.96 12.32 36.28 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -174.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -58.95 -46.8 99.51 Favored Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 172.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.0 -51.33 11.11 Favored 'Trans proline' 0 N--CA 1.452 -0.946 1 C-N-CA 125.89 4.393 . . . . 0.0 112.031 171.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.09 33.7 0.1 Allowed 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 126.666 1.986 . . . . 0.0 111.964 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.1 t -146.52 -64.17 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 C-N-CA 126.358 1.863 . . . . 0.0 107.127 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.27 -73.47 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 128.643 2.777 . . . . 0.0 110.996 179.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.45 -61.01 6.35 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 124.334 0.969 . . . . 0.0 110.928 -173.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.35 63.98 2.64 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.829 0.851 . . . . 0.0 110.22 -174.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.561 ' HB3' ' CD ' ' A' ' 24' ' ' PRO 0.257 7.8 tpp85 -113.57 -79.71 0.01 OUTLIER Pre-proline 0 CA--C 1.541 0.602 0 C-N-CA 125.704 1.601 . . . . 0.0 108.885 -174.703 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.561 ' CD ' ' HB3' ' A' ' 23' ' ' ARG . 41.3 Cg_endo -79.46 -143.77 0.02 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.05 1 C-N-CA 125.778 4.318 . . . . 0.0 108.659 170.019 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.06 -15.61 63.83 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.193 0.997 . . . . 0.0 113.45 -174.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.5 p -74.92 61.4 1.03 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.144 0.978 . . . . 0.0 110.82 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -139.08 -136.73 0.13 Allowed 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 124.635 1.174 . . . . 0.0 108.443 -171.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 45.5 ttp -125.29 -80.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 125.247 1.419 . . . . 0.0 108.878 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.7 t -83.47 -161.01 0.47 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.551 0.691 . . . . 0.0 110.684 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.6 t -58.81 -51.87 68.15 Favored 'General case' 0 N--CA 1.461 0.095 0 C-N-CA 124.312 1.045 . . . . 0.0 111.102 -176.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.7 tpt -144.46 42.24 1.37 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.264 1.026 . . . . 0.0 108.252 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 N-CA-C 104.782 -2.303 . . . . 0.0 104.782 173.901 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 118.898 -0.572 . . . . 0.0 109.699 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -50.26 -51.87 41.03 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 122.59 1.186 . . . . 0.0 112.228 -172.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -52.29 -52.36 53.32 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 112.945 -1.934 . . . . 0.0 109.915 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.38 -43.32 99.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 122.597 0.359 . . . . 0.0 110.324 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 32.1 ttm -57.77 -52.98 63.24 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -58.32 -42.52 86.95 Favored 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 121.941 -0.475 . . . . 0.0 110.702 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.8 m -58.33 -54.45 46.83 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.008 0.367 . . . . 0.0 110.752 177.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.19 -38.11 89.86 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -176.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -62.78 -52.56 62.73 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.39 -48.47 71.53 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 121.824 -0.548 . . . . 0.0 110.017 175.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.93 -53.51 40.29 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.532 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -34.19 69.66 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 122.974 0.51 . . . . 0.0 111.25 -175.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 t -52.71 -56.78 5.93 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 C-N-CA 123.913 0.885 . . . . 0.0 108.753 175.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.17 -27.44 68.31 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 176.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 53.28 41.98 32.1 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.591 1.556 . . . . 0.0 107.847 -157.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.449 ' CB ' ' HD3' ' A' ' 17' ' ' PRO . 41.9 mttp -144.6 -72.78 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.547 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 -159.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.449 ' HD3' ' CB ' ' A' ' 16' ' ' LYS . 54.4 Cg_exo -34.34 -61.3 0.23 Allowed 'Trans proline' 0 N--CA 1.459 -0.515 1 C-N-CA 126.839 5.026 . . . . 0.0 116.078 -168.887 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.05 40.12 2.9 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 126.082 1.753 . . . . 0.0 110.113 177.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.1 t -121.83 -56.92 2.91 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.1 0 C-N-CA 125.326 1.45 . . . . 0.0 108.441 174.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.5 mtp85 58.53 -70.6 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 129.671 3.189 . . . . 0.0 112.515 165.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.59 -20.77 10.45 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 125.159 1.362 . . . . 0.0 112.158 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.74 -161.83 0.57 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.532 1.533 . . . . 0.0 110.394 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.584 ' HB2' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -149.0 -72.74 0.02 OUTLIER Pre-proline 0 CA--C 1.53 0.177 0 O-C-N 121.518 -0.739 . . . . 0.0 109.164 162.685 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.584 ' HD3' ' HB2' ' A' ' 23' ' ' ARG . 97.9 Cg_endo -75.12 -149.88 0.03 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.308 1 C-N-CA 125.736 4.291 . . . . 0.0 108.353 169.856 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.75 68.27 2.3 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.357 -0.84 . . . . 0.0 109.477 177.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.5 t 103.8 -144.62 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 129.177 2.991 . . . . 0.0 107.37 -169.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -102.48 -127.43 0.22 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.329 1.451 . . . . 0.0 107.905 168.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.3 ttp -141.94 -69.45 0.36 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 126.2 1.8 . . . . 0.0 106.969 -176.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.0 p -100.57 -151.8 0.41 Allowed 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 163.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 51.8 t -48.44 -44.06 34.99 Favored 'General case' 0 C--O 1.23 0.058 0 CA-C-O 121.537 0.684 . . . . 0.0 110.405 159.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 27.1 ptm -104.73 163.27 12.62 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.868 174.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.936 0 C-N-CA 128.909 2.883 . . . . 0.0 104.144 165.083 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.4 mtm . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.27 20.38 0.09 Allowed 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -169.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.2 tpt -63.98 -43.36 95.96 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 167.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.38 -48.88 75.95 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.728 0.411 . . . . 0.0 110.0 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.7 ttt -59.58 -54.02 51.33 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.516 0.726 . . . . 0.0 110.057 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -54.63 -48.88 71.71 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.367 -0.208 . . . . 0.0 110.467 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.8 m -59.57 -52.35 65.93 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.871 0.468 . . . . 0.0 110.964 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.61 -47.28 86.91 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -177.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -54.95 -50.77 68.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.339 0.655 . . . . 0.0 110.331 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.18 -39.7 69.87 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.653 0.781 . . . . 0.0 111.028 176.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.03 -37.68 81.66 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 117.969 0.349 . . . . 0.0 111.377 175.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -66.3 -52.98 41.91 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 118.837 0.744 . . . . 0.0 109.953 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.3 m -56.37 131.49 19.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -173.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.27 -34.35 4.01 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-O 119.599 -0.556 . . . . 0.0 111.868 -173.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.39 -42.48 25.42 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 118.677 1.239 . . . . 0.0 111.619 177.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 66.5 mmtt -132.61 -76.29 0.01 OUTLIER Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 125.632 1.573 . . . . 0.0 111.938 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' A' ' 16' ' ' LYS . 5.2 Cg_endo -58.08 123.06 12.81 Favored 'Trans proline' 0 N--CA 1.434 -1.996 0 C-N-CA 124.155 3.236 . . . . 0.0 108.846 173.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 79.61 27.22 0.36 Allowed 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 129.303 3.041 . . . . 0.0 112.34 177.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.5 m -124.01 -128.4 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 161.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 58.63 -78.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.924 1.29 . . . . 0.0 108.051 -151.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.33 65.81 3.57 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 108.037 -2.025 . . . . 0.0 108.037 172.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.87 92.29 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.488 1.115 . . . . 0.0 113.807 -162.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.578 ' HB2' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -45.84 -62.74 1.59 Allowed Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 124.578 1.151 . . . . 0.0 111.654 166.611 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.578 ' HD3' ' HB2' ' A' ' 23' ' ' ARG . 4.0 Cg_exo -37.01 -31.49 0.11 Allowed 'Trans proline' 0 N--CA 1.456 -0.698 1 C-N-CA 128.815 6.343 . . . . 0.0 118.223 165.129 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 53.54 -126.05 2.37 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 113.436 -1.711 . . . . 0.0 106.505 -159.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.3 m 53.15 27.65 6.12 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.829 0.852 . . . . 0.0 112.593 169.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -175.22 -145.83 0.03 OUTLIER 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 102.091 -3.3 . . . . 0.0 102.091 -172.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 49.9 ttp -160.42 -116.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 167.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -152.71 148.95 27.87 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 126.293 1.837 . . . . 0.0 107.339 -173.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.6 p -157.06 -140.58 0.08 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 176.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -47.27 -43.31 22.08 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 119.117 0.871 . . . . 0.0 109.142 169.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.979 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 152.864 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.6 -10.7 28.24 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -171.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.2 ptm -51.84 -37.9 53.78 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 124.023 0.929 . . . . 0.0 110.047 167.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.13 87.62 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.207 -0.308 . . . . 0.0 110.29 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 91.3 mmm -63.42 -45.5 90.67 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -56.74 -46.67 81.23 Favored 'General case' 0 C--N 1.333 -0.142 0 O-C-N 121.926 -0.484 . . . . 0.0 110.43 177.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.8 m -59.78 -50.14 74.98 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.85 0.46 . . . . 0.0 110.378 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.94 -37.95 89.07 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -60.92 -49.13 78.71 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.84 81.94 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.833 0.453 . . . . 0.0 110.068 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.92 -51.8 68.13 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.259 0.224 . . . . 0.0 110.526 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.6 mtp-105 -51.51 -51.09 58.07 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.89 0.476 . . . . 0.0 110.494 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.8 t -58.95 -48.0 87.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 C-N-CA 122.597 0.359 . . . . 0.0 110.804 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.76 -37.7 70.12 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 174.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.15 57.65 3.65 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.58 0.752 . . . . 0.0 110.068 -176.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . 56.9 tptt -146.66 -70.95 0.02 OUTLIER Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 124.734 1.214 . . . . 0.0 111.454 177.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.458 ' HD3' ' HB3' ' A' ' 16' ' ' LYS . 12.2 Cg_endo -63.12 116.44 3.59 Favored 'Trans proline' 0 N--CA 1.439 -1.707 0 C-N-CA 124.692 3.595 . . . . 0.0 109.55 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 66.93 11.0 8.08 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 129.046 2.938 . . . . 0.0 113.14 -173.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.6 t -112.58 -10.97 12.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 125.771 1.628 . . . . 0.0 111.656 175.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.87 -66.0 0.14 Allowed 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 129.058 2.943 . . . . 0.0 110.212 176.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.1 79.73 0.07 OUTLIER Glycine 0 N--CA 1.442 -0.942 0 N-CA-C 107.736 -2.146 . . . . 0.0 107.736 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.57 69.21 0.16 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 168.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.622 ' HB2' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -114.42 -69.85 0.02 OUTLIER Pre-proline 0 N--CA 1.453 -0.319 0 N-CA-C 104.89 -2.263 . . . . 0.0 104.89 168.807 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.622 ' HD3' ' HB2' ' A' ' 23' ' ' ARG . 38.1 Cg_endo -77.77 -150.45 0.04 OUTLIER 'Trans proline' 0 N--CA 1.444 -1.426 1 C-N-CA 125.976 4.451 . . . . 0.0 107.548 152.826 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.33 137.16 39.67 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.535 -0.728 . . . . 0.0 110.79 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.5 m -70.08 66.67 0.27 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.116 0.966 . . . . 0.0 111.46 172.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.8 mtp85 -145.4 129.62 17.64 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 104.677 -2.342 . . . . 0.0 104.677 161.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.6 tpt -93.72 -74.03 0.55 Allowed 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 126.71 2.004 . . . . 0.0 109.779 -177.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.4 p -74.53 -68.68 0.51 Allowed 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 123.084 1.421 . . . . 0.0 111.069 -170.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.3 t 167.22 -47.5 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 129.194 2.998 . . . . 0.0 108.245 -162.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.7 ttp -71.86 -48.03 48.74 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.889 0.875 . . . . 0.0 109.069 176.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.295 0 C-N-CA 126.639 1.976 . . . . 0.0 105.894 174.186 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.7 mmm . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.84 37.96 0.31 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.282 1.033 . . . . 0.0 112.296 -171.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.3 tpt -59.91 -32.34 70.67 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 169.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.17 -49.18 72.52 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.679 0.392 . . . . 0.0 110.173 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.5 tpt -62.76 -52.64 62.44 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -51.91 -49.35 63.23 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.1 m -62.01 -53.44 55.57 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.396 0.678 . . . . 0.0 111.005 -178.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.35 -42.15 98.22 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -176.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -62.36 -53.02 61.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 123.084 0.554 . . . . 0.0 109.774 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.3 -48.39 71.36 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.031 0.533 . . . . 0.0 110.458 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.07 -52.72 63.25 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -46.85 78.29 Favored 'General case' 0 C--O 1.228 -0.074 0 C-N-CA 122.534 0.333 . . . . 0.0 111.238 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.1 t -58.81 -48.63 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 122.854 0.462 . . . . 0.0 110.317 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.14 -38.38 85.57 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 174.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.32 60.51 3.79 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.551 1.14 . . . . 0.0 109.979 -176.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.503 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . 62.8 tttp -150.69 -67.53 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.47 0 C-N-CA 127.08 2.152 . . . . 0.0 106.898 171.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.503 ' HD3' ' HB3' ' A' ' 16' ' ' LYS . 83.0 Cg_exo -37.22 -55.55 0.94 Allowed 'Trans proline' 0 N--CA 1.451 -0.98 1 C-N-CA 125.853 4.369 . . . . 0.0 112.703 159.417 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.35 19.87 1.79 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 113.485 -1.689 . . . . 0.0 112.797 -178.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.7 t -121.01 -49.53 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 C-N-CA 124.739 1.216 . . . . 0.0 109.749 174.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.6 mtm105 -56.22 -64.26 0.92 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 113.621 -1.627 . . . . 0.0 107.945 165.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.58 67.19 3.57 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 108.429 -1.868 . . . . 0.0 108.429 166.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.03 144.13 9.37 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.535 0.734 . . . . 0.0 111.155 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.569 ' CB ' ' CD ' ' A' ' 24' ' ' PRO 0.294 0.0 OUTLIER -119.49 -83.36 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.752 0 C-N-CA 124.088 0.955 . . . . 0.0 109.65 174.32 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.569 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 37.2 Cg_endo -82.83 -150.15 0.04 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.897 1 C-N-CA 127.048 5.165 . . . . 0.0 109.646 176.904 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.49 75.83 0.1 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.133 0.973 . . . . 0.0 108.602 165.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.8 m -79.68 69.64 6.02 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.33 1.052 . . . . 0.0 111.582 -163.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -89.9 -127.5 0.07 Allowed 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 105.157 -2.164 . . . . 0.0 105.157 159.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.37 -59.58 2.0 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.214 -1.773 . . . . 0.0 106.214 152.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 m -161.7 158.19 25.56 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 126.248 1.819 . . . . 0.0 106.606 165.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 45.5 t -107.14 -49.4 3.28 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.763 1.225 . . . . 0.0 108.304 165.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 96.2 mtp -132.92 -63.47 0.77 Allowed 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 105.528 -2.027 . . . . 0.0 105.528 163.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.442 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 141.957 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.1 mmt . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 118.703 -0.665 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.52 -41.83 77.39 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 122.299 1.047 . . . . 0.0 112.708 -172.379 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.8 tpt -61.1 -48.26 82.47 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 113.436 -1.711 . . . . 0.0 109.849 178.43 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.79 -46.09 89.63 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -56.01 -55.94 26.76 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.29 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -49.03 -55.58 11.6 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 123.736 0.814 . . . . 0.0 109.928 177.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.9 m -58.52 -51.61 69.13 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.019 0.528 . . . . 0.0 111.355 -176.405 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.12 -41.57 94.76 Favored 'General case' 0 CA--C 1.527 0.076 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -175.838 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -61.81 -50.37 72.58 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.37 -50.22 72.17 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.154 0.582 . . . . 0.0 109.985 177.136 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.7 -48.23 69.75 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.475 0.31 . . . . 0.0 110.567 177.03 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -59.89 -50.23 74.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.853 179.116 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.7 t -52.01 -49.86 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 118.983 0.811 . . . . 0.0 108.934 175.266 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.03 1.77 1.23 Allowed Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.519 1.057 . . . . 0.0 114.794 176.694 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.73 51.69 1.05 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 118.971 1.385 . . . . 0.0 108.828 170.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' CB ' ' CD ' ' A' ' 17' ' ' PRO 0.289 17.7 mmtp -73.85 -71.63 0.21 Allowed Pre-proline 0 C--N 1.344 0.344 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 174.407 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' A' ' 16' ' ' LYS . 58.9 Cg_endo -72.36 -132.61 0.01 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.459 0 C-N-CA 123.493 2.795 . . . . 0.0 105.092 144.714 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.447 ' O ' HG13 ' A' ' 19' ' ' VAL . . . -70.35 -24.18 62.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 120.33 -1.481 . . . . 0.0 113.025 167.117 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 18' ' ' ALA . 4.8 m -164.13 114.89 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 126.093 1.757 . . . . 0.0 110.525 -173.758 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.8 ttm105 57.75 -78.6 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.296 1.838 . . . . 0.0 113.496 164.393 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -154.41 27.08 0.68 Allowed Glycine 0 CA--C 1.53 0.999 0 C-N-CA 124.754 1.169 . . . . 0.0 111.48 -178.666 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.58 -156.22 0.3 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 117.401 0.601 . . . . 0.0 109.676 171.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.659 ' HB2' ' HD3' ' A' ' 24' ' ' PRO 0.254 0.0 OUTLIER -116.38 -82.71 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.393 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 167.9 . . . . . . . . 4 4 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.659 ' HD3' ' HB2' ' A' ' 23' ' ' ARG . 42.2 Cg_endo -74.86 -169.54 0.64 Allowed 'Trans proline' 0 N--CA 1.438 -1.753 1 C-N-CA 125.759 4.306 . . . . 0.0 108.22 164.577 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.18 53.49 1.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 124.376 1.07 . . . . 0.0 111.695 -169.293 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -76.11 61.81 1.61 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.868 0.867 . . . . 0.0 110.59 -179.682 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -144.38 -127.23 0.08 Allowed 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.816 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.02 -81.57 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 125.841 1.656 . . . . 0.0 106.654 -174.37 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 p -61.47 163.74 6.49 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.767 0.827 . . . . 0.0 109.678 156.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.5 t -98.4 -61.19 1.41 Allowed 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.361 1.065 . . . . 0.0 109.428 177.02 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 45.1 ttm -51.62 -32.29 28.41 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.142 1.377 . . . . 0.0 112.651 -173.059 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.158 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 177.268 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.96 81.83 0.93 Allowed 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 173.33 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 70.1 mtm -49.79 -27.31 4.8 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.298 0.639 . . . . 0.0 110.568 170.176 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.21 93.93 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.428 0.691 . . . . 0.0 110.682 175.816 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 27.3 ttt -65.1 -52.25 56.57 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.976 0.91 . . . . 0.0 109.116 -179.403 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -49.39 -53.89 20.18 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 173.066 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.5 m -58.42 -52.68 64.6 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.926 0.491 . . . . 0.0 111.376 -176.684 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.35 -47.84 84.01 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -177.453 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -56.24 -51.06 69.48 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -178.582 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.32 -43.36 74.84 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.932 0.893 . . . . 0.0 111.14 176.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.83 -40.51 96.78 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.709 -0.62 . . . . 0.0 111.16 176.422 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -69.89 -47.02 64.17 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.097 0.559 . . . . 0.0 111.29 -175.874 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.1 m -59.25 128.2 19.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 118.743 0.701 . . . . 0.0 110.103 -175.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.52 5.16 90.03 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 123.786 0.708 . . . . 0.0 112.83 -174.837 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.88 -42.8 2.81 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 124.989 1.316 . . . . 0.0 112.061 172.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' CB ' ' CD ' ' A' ' 17' ' ' PRO 0.266 46.5 mmtt -123.26 -73.76 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.531 0 C-N-CA 125.08 1.352 . . . . 0.0 111.842 174.776 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 16' ' ' LYS . 16.7 Cg_exo -49.38 122.29 8.39 Favored 'Trans proline' 0 N--CA 1.434 -1.987 0 C-N-CA 124.132 3.221 . . . . 0.0 108.305 163.111 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 71.47 27.03 3.12 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 128.863 2.865 . . . . 0.0 112.316 -176.108 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.7 t -135.66 -48.71 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 C-N-CA 124.52 1.128 . . . . 0.0 111.134 172.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.8 ttp85 59.68 -74.48 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 128.75 2.82 . . . . 0.0 109.071 -172.175 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.37 47.11 0.32 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 108.05 -2.02 . . . . 0.0 108.05 176.175 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.02 151.49 22.24 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.568 1.147 . . . . 0.0 109.065 170.295 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.601 ' HB2' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -44.1 -67.83 0.33 Allowed Pre-proline 0 CA--C 1.537 0.468 0 C-N-CA 125.632 1.573 . . . . 0.0 112.042 173.26 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.601 ' HD3' ' HB2' ' A' ' 23' ' ' ARG . 22.5 Cg_endo -68.8 110.78 2.44 Favored 'Trans proline' 0 N--CA 1.435 -1.916 0 C-N-CA 124.998 3.799 . . . . 0.0 111.277 178.292 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.21 79.7 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 111.475 -2.602 . . . . 0.0 107.419 163.081 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.9 m -74.32 61.93 0.93 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.289 1.435 . . . . 0.0 112.432 -165.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -93.6 -134.15 0.17 Allowed 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 106.06 -1.829 . . . . 0.0 106.06 158.051 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.3 ptp 164.97 -59.88 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 129.285 3.034 . . . . 0.0 106.759 178.357 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.4 m -157.01 151.62 25.56 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.765 2.026 . . . . 0.0 106.706 167.275 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.8 t -151.81 -51.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 123.663 0.785 . . . . 0.0 110.684 -173.246 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 78.2 mtm -128.93 -60.93 1.07 Allowed 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 172.26 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.428 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 139.054 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.469 0.484 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.44 56.75 3.7 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 165.3 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.7 ttt -74.92 73.96 2.15 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 105.072 -2.195 . . . . 0.0 105.072 175.005 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -36.26 87.92 0.0 OUTLIER 'General case' 0 C--N 1.339 0.115 0 C-N-CA 125.228 1.411 . . . . 0.0 112.205 -134.174 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.7 tpt -39.22 -52.31 1.95 Allowed 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 127.972 2.509 . . . . 0.0 112.749 -168.139 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -55.31 -48.93 73.39 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.014 0.435 . . . . 0.0 111.055 178.455 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 t -64.92 -52.61 55.45 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.925 1.29 . . . . 0.0 108.856 -178.645 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -40.88 -54.69 2.65 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.647 1.979 . . . . 0.0 109.961 169.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -63.83 -54.25 37.97 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -175.271 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.4 -35.58 63.02 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 122.893 0.477 . . . . 0.0 111.947 179.017 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.67 -45.02 63.23 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 122.034 -0.416 . . . . 0.0 111.165 175.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.6 mmm-85 -82.61 -24.26 33.97 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -170.704 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.2 m -57.59 146.61 6.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 120.189 1.359 . . . . 0.0 108.714 170.734 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.91 -61.84 2.92 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 -168.283 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.11 46.38 0.4 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.315 1.446 . . . . 0.0 112.147 178.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 51.1 mttm -138.35 -63.8 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 128.191 2.597 . . . . 0.0 106.862 167.379 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 16' ' ' LYS . 97.2 Cg_exo -40.81 -62.15 0.41 Allowed 'Trans proline' 0 N--CA 1.45 -1.04 1 C-N-CA 125.892 4.395 . . . . 0.0 113.336 163.139 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.96 41.43 0.66 Allowed 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 125.548 1.539 . . . . 0.0 111.312 -173.516 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.4 p -160.95 -44.34 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-O 123.171 1.462 . . . . 0.0 110.143 173.408 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.7 tpp85 73.24 -55.89 0.67 Allowed 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 128.881 2.873 . . . . 0.0 110.464 174.278 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -48.11 -45.56 26.94 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 178.691 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.44 22.96 1.71 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -177.54 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.526 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 12.4 tpt85 -64.44 -67.49 1.04 Allowed Pre-proline 0 CA--C 1.54 0.579 0 O-C-N 121.64 -0.663 . . . . 0.0 109.363 166.422 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.526 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 1.6 Cg_exo -34.54 -40.91 0.23 Allowed 'Trans proline' 0 N--CA 1.453 -0.91 1 C-N-CA 127.99 5.793 . . . . 0.0 116.138 169.492 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.19 57.77 0.16 Allowed 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 126.068 1.747 . . . . 0.0 111.012 172.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -99.43 113.34 25.63 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.94 1.696 . . . . 0.0 106.882 168.175 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.3 mmt-85 -142.69 141.3 31.8 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 103.66 -2.719 . . . . 0.0 103.66 -177.238 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.61 -48.23 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 128.531 2.732 . . . . 0.0 108.04 -178.653 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.3 m -113.16 163.23 15.02 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.465 1.506 . . . . 0.0 110.718 173.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.3 m -136.29 -87.28 0.33 Allowed 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 162.788 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 93.6 mtp -66.58 -39.68 88.58 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 168.243 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.235 0 N-CA-C 104.696 -2.335 . . . . 0.0 104.696 168.726 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.49 58.92 2.79 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.371 1.068 . . . . 0.0 109.658 -177.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.9 ttt -55.32 -27.51 47.48 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.651 169.041 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.83 -47.61 82.15 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.622 0.369 . . . . 0.0 110.198 174.254 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 54.5 ttp -64.49 -49.31 71.85 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -179.568 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.7 mtm105 -54.26 -47.98 71.68 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 178.179 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.2 m -62.21 -51.96 65.7 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.122 0.569 . . . . 0.0 110.612 -178.679 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.98 -43.33 95.2 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -178.797 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -58.59 -54.66 44.53 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -179.093 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.29 -49.11 70.38 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 122.662 0.385 . . . . 0.0 110.75 177.215 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.54 -52.92 43.1 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.524 0.73 . . . . 0.0 110.316 179.454 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.4 mtt-85 -68.81 -39.97 79.77 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.524 1.129 . . . . 0.0 111.512 -177.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 t -50.67 -54.97 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 123.718 0.807 . . . . 0.0 109.406 174.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.12 -25.37 71.31 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.597 176.835 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 48.73 41.71 18.42 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.552 1.541 . . . . 0.0 108.081 -155.707 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.435 ' CB ' ' HD3' ' A' ' 17' ' ' PRO . 21.5 mmtp -144.03 -72.37 0.02 OUTLIER Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -161.426 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HD3' ' CB ' ' A' ' 16' ' ' LYS . 62.5 Cg_exo -34.63 -56.16 0.48 Allowed 'Trans proline' 0 N--CA 1.458 -0.572 1 C-N-CA 126.45 4.767 . . . . 0.0 116.2 -168.404 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -122.42 45.56 2.34 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 125.816 1.646 . . . . 0.0 110.082 176.226 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 t -136.08 -51.62 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 124.866 1.266 . . . . 0.0 109.96 179.108 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 54.46 -72.88 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 130.332 3.453 . . . . 0.0 112.636 168.088 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.54 -6.76 21.28 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 125.755 1.645 . . . . 0.0 112.752 -172.732 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.451 ' C ' ' HE ' ' A' ' 23' ' ' ARG . . . -74.53 77.72 1.96 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.33 1.565 . . . . 0.0 109.227 176.829 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.683 ' HB2' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.27 -74.83 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.304 0 C-N-CA 124.917 1.287 . . . . 0.0 107.562 174.22 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.683 ' HD3' ' HB2' ' A' ' 23' ' ' ARG . 66.5 Cg_endo -75.82 -165.33 0.29 Allowed 'Trans proline' 0 N--CA 1.441 -1.61 1 C-N-CA 125.47 4.113 . . . . 0.0 108.547 164.38 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.6 58.94 3.92 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.987 0.915 . . . . 0.0 109.652 -176.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.5 m -67.96 71.45 0.16 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.137 1.375 . . . . 0.0 112.806 -169.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.3 ttp-105 -66.55 -43.4 85.19 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 125.522 1.529 . . . . 0.0 110.454 172.892 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 32.3 tpp 171.8 -71.59 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.715 1 C-N-CA 131.84 4.056 . . . . 0.0 103.014 178.513 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.7 m -53.33 167.41 0.2 Allowed 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 114.401 -1.272 . . . . 0.0 110.876 144.449 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.6 t -97.28 -59.06 1.86 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 166.026 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 98.1 mtp -129.03 -68.06 0.76 Allowed 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 105.075 -2.195 . . . . 0.0 105.075 170.143 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 142.445 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.8 mmt . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.64 68.76 3.78 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.196 0.998 . . . . 0.0 108.964 -179.676 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 59.8 ttm -50.31 -30.39 11.89 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.557 166.347 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.82 79.14 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.893 0.477 . . . . 0.0 110.325 176.755 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.7 tpt -62.88 -48.3 79.58 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.555 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -53.03 -48.95 67.21 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 109.969 178.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.1 m -60.27 -52.91 63.28 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.149 0.58 . . . . 0.0 111.106 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -42.47 96.43 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.484 0.659 . . . . 0.0 109.304 -176.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -61.65 -50.92 70.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.163 0.985 . . . . 0.0 109.555 -179.438 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.6 -49.81 69.56 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.473 0.709 . . . . 0.0 110.469 176.06 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.0 -49.77 74.77 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.55 0.34 . . . . 0.0 110.453 179.124 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -57.04 -52.14 66.46 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.645 0.378 . . . . 0.0 110.686 178.732 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.8 t -55.94 -41.25 66.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 118.086 0.403 . . . . 0.0 110.091 177.058 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.15 -22.15 57.64 Favored Glycine 0 CA--C 1.531 1.062 0 CA-C-O 118.969 -0.906 . . . . 0.0 113.288 176.327 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.01 61.24 3.82 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.908 1.354 . . . . 0.0 111.082 -172.676 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -175.12 -58.34 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.397 0 C-N-CA 129.443 3.097 . . . . 0.0 107.711 176.461 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -39.25 -74.06 0.04 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.195 1 C-N-CA 125.971 4.447 . . . . 0.0 112.059 159.908 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.81 43.52 0.59 Allowed 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 124.797 1.239 . . . . 0.0 110.722 -178.285 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 50.8 t -146.88 -50.94 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 CA-C-O 122.264 1.03 . . . . 0.0 110.548 179.003 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.48 -49.67 2.24 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 127.032 2.133 . . . . 0.0 109.892 -176.555 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.42 -29.97 76.17 Favored Glycine 0 CA--C 1.531 1.055 0 CA-C-N 115.661 -0.7 . . . . 0.0 113.125 -174.303 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -155.02 151.25 28.22 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.454 1.501 . . . . 0.0 107.423 -176.662 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.689 ' HB2' ' HD3' ' A' ' 24' ' ' PRO 0.271 0.0 OUTLIER -104.26 -78.61 0.02 OUTLIER Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 170.246 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.689 ' HD3' ' HB2' ' A' ' 23' ' ' ARG . 35.8 Cg_endo -76.67 -152.26 0.04 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.301 1 C-N-CA 125.979 4.453 . . . . 0.0 107.904 164.926 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.11 64.02 1.34 Allowed 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.62 -0.675 . . . . 0.0 109.7 170.463 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.6 m -57.1 120.25 7.72 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.452 1.101 . . . . 0.0 110.003 177.571 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.39 -46.55 6.34 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 125.75 1.62 . . . . 0.0 111.942 -175.13 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.1 ttt -62.78 -58.57 6.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.038 -1.437 . . . . 0.0 108.192 173.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.5 m 144.27 150.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 1 C-N-CA 132.486 4.314 . . . . 0.0 107.455 169.564 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.2 t 49.15 -84.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 127.143 2.177 . . . . 0.0 111.644 -174.628 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.2 ptp -64.07 -34.7 78.62 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.478 1.111 . . . . 0.0 112.131 -167.891 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 N-CA-C 105.592 -2.003 . . . . 0.0 105.592 -177.886 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 mmt . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.13 -139.03 0.14 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.079 0.952 . . . . 0.0 110.301 -176.412 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -39.89 -46.19 1.97 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.989 2.116 . . . . 0.0 111.819 177.694 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.71 -44.84 63.35 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.641 0.776 . . . . 0.0 111.831 179.725 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 60.9 ttp -65.17 -50.9 64.18 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -177.059 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -55.54 -48.29 74.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.367 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.2 m -60.23 -54.07 50.19 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.437 0.695 . . . . 0.0 111.268 179.502 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.29 -42.18 98.21 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -176.472 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -61.23 -53.18 60.11 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.76 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.92 -47.44 74.4 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.142 0.577 . . . . 0.0 110.555 178.461 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.85 -50.91 71.02 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 176.879 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -59.53 -43.76 93.38 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 122.046 -0.409 . . . . 0.0 111.47 -179.379 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.4 t -56.42 -51.77 60.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 118.377 0.535 . . . . 0.0 109.619 174.176 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.85 -37.77 29.1 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 173.848 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.9 45.32 0.97 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.802 1.241 . . . . 0.0 110.141 178.613 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -29.76 148.29 0.04 OUTLIER Pre-proline 0 N--CA 1.426 -1.656 0 N-CA-C 119.127 3.01 . . . . 0.0 119.127 -168.357 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -73.27 -145.67 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.155 1 C-N-CA 127.226 5.284 . . . . 0.0 107.582 171.107 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.08 20.56 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -176.51 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.6 t -79.66 -30.23 13.43 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.142 0 C-N-CA 123.205 0.602 . . . . 0.0 109.912 159.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.3 tpp180 -5.93 -63.41 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 130.494 3.518 . . . . 0.0 114.965 174.026 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.94 -47.58 14.36 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.294 0.95 . . . . 0.0 112.256 -179.35 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.58 72.9 1.95 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 168.462 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.558 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -58.06 -72.1 0.26 Allowed Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 123.839 0.856 . . . . 0.0 112.241 -173.973 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.558 ' CD ' ' CB ' ' A' ' 23' ' ' ARG . 64.5 Cg_endo -79.66 -168.99 0.7 Allowed 'Trans proline' 0 N--CA 1.438 -1.745 1 C-N-CA 126.45 4.767 . . . . 0.0 109.241 173.201 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.88 72.33 0.81 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 168.179 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.4 m -71.02 149.66 46.39 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -150.615 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.4 mmt-85 -69.17 -50.22 49.6 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 125.405 1.482 . . . . 0.0 110.186 168.553 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.9 tpt -121.21 -69.63 0.83 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 112.599 -2.091 . . . . 0.0 108.143 179.046 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.1 p 138.85 164.37 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 130.397 3.479 . . . . 0.0 107.342 -169.813 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 50.3 t 63.67 -72.31 0.05 Allowed 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 126.56 1.944 . . . . 0.0 111.336 178.081 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 91.5 mtp -71.84 -54.98 8.42 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.466 1.107 . . . . 0.0 109.661 179.154 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.826 0 CA-C-O 116.72 -1.61 . . . . 0.0 108.671 -177.425 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.8 8.81 0.46 Allowed 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -170.044 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -58.86 -44.97 91.15 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 160.45 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.33 -48.14 81.48 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.683 0.393 . . . . 0.0 110.076 177.937 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -57.37 -57.49 12.41 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.411 0.684 . . . . 0.0 109.373 178.724 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -52.21 -49.35 64.11 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.24 0.216 . . . . 0.0 110.63 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.1 m -59.08 -54.57 45.56 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.739 0.416 . . . . 0.0 111.278 -179.658 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.42 -46.5 89.85 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 -176.438 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -56.35 -50.18 72.24 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.81 0.844 . . . . 0.0 110.347 -179.481 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.87 -47.38 74.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.819 0.448 . . . . 0.0 110.246 176.01 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.93 -42.36 89.55 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 122.245 -0.284 . . . . 0.0 110.948 176.847 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 mmt85 -61.8 -51.67 67.33 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 -179.274 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.7 t -53.35 -42.3 47.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 174.808 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.03 -19.33 10.93 Favored Glycine 0 CA--C 1.533 1.215 0 CA-C-O 118.563 -1.131 . . . . 0.0 114.604 175.409 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.91 16.6 13.43 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.361 1.58 . . . . 0.0 110.569 177.353 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 17' ' ' PRO 0.262 35.5 mttp 57.93 129.91 0.02 OUTLIER Pre-proline 0 N--CA 1.436 -1.156 0 C-N-CA 128.402 2.681 . . . . 0.0 111.655 -159.029 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 54.4 Cg_endo -64.52 -88.52 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.094 1 C-N-CA 126.168 4.578 . . . . 0.0 110.51 -155.904 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.26 33.83 0.05 OUTLIER 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 124.714 1.205 . . . . 0.0 111.697 173.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.1 t -119.03 -64.21 1.73 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 CA-C-O 122.066 0.936 . . . . 0.0 110.042 174.355 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.1 ttt-85 -115.75 -44.82 2.92 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 113.259 -1.791 . . . . 0.0 109.578 -179.153 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -47.04 -44.02 18.36 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 123.83 0.729 . . . . 0.0 111.792 176.276 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.54 68.95 0.82 Allowed 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 166.61 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.539 ' HB3' ' CD ' ' A' ' 24' ' ' PRO . 1.8 tpm_? -55.86 -72.24 0.22 Allowed Pre-proline 0 CA--C 1.538 0.515 0 C-N-CA 125.055 1.342 . . . . 0.0 109.542 170.774 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.539 ' CD ' ' HB3' ' A' ' 23' ' ' ARG . 19.3 Cg_endo -65.07 114.47 2.82 Favored 'Trans proline' 0 N--CA 1.432 -2.107 0 C-N-CA 124.428 3.419 . . . . 0.0 107.697 164.41 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -159.76 -131.37 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 128.275 2.63 . . . . 0.0 106.166 -179.018 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -73.02 53.3 0.35 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.085 0.857 . . . . 0.0 110.748 170.762 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.9 mtt85 -147.18 -133.05 0.07 Allowed 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 127.429 2.291 . . . . 0.0 105.123 -175.903 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 30.6 tpp -162.89 -78.34 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 126.038 1.735 . . . . 0.0 107.123 172.005 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.3 p -110.57 -63.63 1.37 Allowed 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 122.882 1.325 . . . . 0.0 110.297 175.7 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.7 t -100.4 -56.27 2.39 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 128.423 2.689 . . . . 0.0 109.402 174.5 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.7 ptt? -159.48 -51.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 128.268 2.627 . . . . 0.0 106.133 178.204 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 142.572 . . . . . . . . 0 0 . 1 stop_ save_