data_6ve9_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6ve9 _Structure_validation_residue.Date_analyzed 2020-07-03 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 ' 8' ' ' ILE . . . . . . . . . . . . . 93.3 mt . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.751 0.31 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.521 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -101.25 -70.75 0.9 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.603 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -62.96 -39.79 95.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.04 0.448 . . . . 0.0 110.605 179.565 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.544 ' O ' ' HB3' ' A' ' 15' ' ' LEU . . . -33.8 -37.82 0.08 OUTLIER Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.621 ' O ' ' N ' ' A' ' 16' ' ' PHE . 13.2 p -61.25 -42.56 93.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.572 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -65.17 -46.05 89.24 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.12 -40.04 82.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.978 0.418 . . . . 0.0 110.143 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.544 ' HB3' ' O ' ' A' ' 11' ' ' GLY . 0.1 OUTLIER -86.49 -68.05 0.77 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.806 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.621 ' N ' ' O ' ' A' ' 12' ' ' VAL . 49.7 t80 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.155 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.499 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -104.14 -35.21 8.12 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.721 0.772 . . . . 0.0 109.861 179.847 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.707 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 97.7 m-85 -98.82 179.25 4.71 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.471 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.707 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 12.0 p . . . . . 0 C--N 1.321 -0.657 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.683 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 94.1 mt . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.692 0.282 . . . . 0.0 111.403 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.7 -101.37 0.15 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.616 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -62.75 -33.38 75.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.958 0.409 . . . . 0.0 110.004 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.425 ' N ' ' HG ' ' A' ' 10' ' ' LEU . . . -35.57 -24.67 0.01 OUTLIER Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.599 ' N ' ' O ' ' A' ' 10' ' ' LEU . 7.4 p -61.77 -40.53 87.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.795 0.331 . . . . 0.0 110.384 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.56 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -55.85 -43.56 87.27 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.68 -37.87 76.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.36 0.6 . . . . 0.0 109.703 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.7 tp -72.84 -69.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.175 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.527 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 6.4 m-85 . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.428 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . 0 N--CA 1.465 0.289 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.578 ' CG ' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -101.07 -29.71 12.0 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.54 0.686 . . . . 0.0 109.47 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.679 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 92.4 m-85 -108.51 175.52 5.44 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.685 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.679 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 4.7 p . . . . . 0 C--N 1.317 -0.832 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.472 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.1 mt . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.611 0.243 . . . . 0.0 111.503 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.521 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -102.1 -69.27 0.83 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.622 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -62.91 -33.38 75.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.967 0.413 . . . . 0.0 110.479 179.69 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.523 ' O ' ' HB3' ' A' ' 15' ' ' LEU . . . -42.27 -32.48 1.14 Allowed Glycine 0 CA--C 1.52 0.404 0 N-CA-C 111.399 -0.681 . . . . 0.0 111.399 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.611 ' O ' ' N ' ' A' ' 16' ' ' PHE . 7.2 p -61.35 -38.44 79.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -67.08 -46.87 68.51 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.32 -38.79 81.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.341 0.591 . . . . 0.0 109.971 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.576 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -85.7 -69.69 0.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.925 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.611 ' N ' ' O ' ' A' ' 12' ' ' VAL . 28.7 t80 . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.49 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.283 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.576 ' NZ ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -103.35 -35.23 8.47 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.792 0.806 . . . . 0.0 109.413 179.664 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.699 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 92.3 m-85 -98.43 177.64 5.28 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.275 -1.33 . . . . 0.0 109.457 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.699 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.3 p . . . . . 0 C--N 1.321 -0.653 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.987 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.558 HG13 ' N ' ' A' ' 9' ' ' GLY . 24.1 pt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.713 0.292 . . . . 0.0 110.782 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.558 ' N ' HG13 ' A' ' 8' ' ' ILE . . . -99.23 -39.24 3.55 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.603 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 2.6 tm? -61.62 -42.71 99.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 0.0 110.8 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.535 ' O ' ' HG ' ' A' ' 15' ' ' LEU . . . -60.85 -41.49 99.23 Favored Glycine 0 CA--C 1.519 0.333 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.585 ' O ' ' N ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -62.9 -40.05 87.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.419 -0.512 . . . . 0.0 109.933 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.547 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -64.12 -40.59 98.22 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.5 -40.38 77.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.263 0.554 . . . . 0.0 110.429 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.562 ' O ' ' CE ' ' A' ' 19' ' ' LYS . 2.3 mt -85.22 -61.21 1.82 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.036 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.585 ' N ' ' O ' ' A' ' 12' ' ' VAL . 79.5 t80 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.301 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.23 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.562 ' CE ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -102.86 -35.09 8.74 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.573 0.702 . . . . 0.0 109.536 179.497 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.684 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 94.4 m-85 -98.53 176.93 5.49 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.091 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.684 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 7.2 p . . . . . 0 C--N 1.318 -0.767 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.691 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.5 mm . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 120.684 0.278 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.489 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -88.48 -49.48 3.66 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.589 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -64.4 -35.02 79.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 110.711 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.56 ' O ' ' HG ' ' A' ' 15' ' ' LEU . . . -57.99 -46.38 92.62 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 -179.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.601 ' O ' ' N ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -64.67 -39.24 84.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.153 0.502 . . . . 0.0 109.991 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.448 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -64.23 -40.31 97.85 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.593 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -69.62 -38.11 77.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.02 0.438 . . . . 0.0 110.558 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 5.8 mt -89.14 -61.12 1.77 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.892 -179.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.601 ' N ' ' O ' ' A' ' 12' ' ' VAL . 64.8 t80 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.662 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.593 ' CB ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.592 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -103.66 -34.59 8.56 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.608 0.718 . . . . 0.0 110.164 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.701 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 89.8 m-85 -101.63 179.37 4.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.112 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.701 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.7 p . . . . . 0 C--N 1.319 -0.719 0 CA-C-O 117.898 -1.048 . . . . 0.0 110.725 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.4 mm . . . . . 0 N--CA 1.462 0.131 0 CA-C-O 120.763 0.316 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.53 -104.04 0.05 OUTLIER Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.611 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -64.03 -31.75 73.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.971 0.415 . . . . 0.0 110.058 179.792 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' LEU . . . -36.75 -23.25 0.01 OUTLIER Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.591 ' N ' ' O ' ' A' ' 10' ' ' LEU . 1.6 p -63.03 -38.21 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.014 0.435 . . . . 0.0 110.118 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.488 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -53.95 -53.59 36.0 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.47 -42.2 87.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.095 0.474 . . . . 0.0 110.343 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.1 tp -65.06 -63.79 1.02 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.203 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.539 ' CD2' ' CD1' ' A' ' 20' ' ' PHE . 1.3 m-85 . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.821 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.588 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -101.47 -16.71 16.74 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.579 0.704 . . . . 0.0 109.93 -179.526 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.701 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 95.1 m-85 -127.06 177.53 6.59 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.605 -1.179 . . . . 0.0 109.436 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.701 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 7.5 p . . . . . 0 C--N 1.316 -0.856 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.905 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.576 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 94.0 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.757 0.313 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.91 -42.38 4.73 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.591 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 2.8 tm? -62.5 -44.74 95.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 0.0 110.751 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.529 ' O ' ' HG ' ' A' ' 15' ' ' LEU . . . -65.43 -36.06 92.14 Favored Glycine 0 CA--C 1.518 0.257 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.599 ' O ' ' N ' ' A' ' 16' ' ' PHE . 42.6 t -61.16 -46.5 96.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.88 -39.34 94.97 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.521 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -69.71 -38.88 77.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.204 0.526 . . . . 0.0 110.568 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.542 ' O ' ' CE ' ' A' ' 19' ' ' LYS . 63.2 mt -92.98 -63.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.165 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.599 ' N ' ' O ' ' A' ' 12' ' ' VAL . 82.0 t80 . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.473 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.466 0.362 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.542 ' CE ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -102.72 -35.2 8.76 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.534 0.683 . . . . 0.0 109.528 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.666 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 98.8 m-85 -99.45 175.72 5.75 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.701 -1.136 . . . . 0.0 108.687 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 2.9 p . . . . . 0 C--N 1.316 -0.875 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.471 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.51 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 16.6 tt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.738 0.304 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.25 -41.87 3.87 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.582 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 3.1 tm? -62.44 -44.73 95.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 110.687 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.525 ' O ' ' HG ' ' A' ' 15' ' ' LEU . . . -65.87 -37.64 93.52 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.593 ' O ' ' N ' ' A' ' 16' ' ' PHE . 38.7 t -60.97 -46.1 97.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.69 -39.96 95.59 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.537 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -69.94 -39.62 75.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.191 0.52 . . . . 0.0 110.58 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 66.5 mt -92.66 -63.27 1.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.263 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.593 ' N ' ' O ' ' A' ' 12' ' ' VAL . 82.8 t80 . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.415 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.466 0.343 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -102.95 -35.26 8.64 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.601 0.715 . . . . 0.0 109.685 179.832 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.676 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 94.2 m-85 -99.39 176.44 5.51 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.571 -1.195 . . . . 0.0 108.797 179.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.676 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 3.9 p . . . . . 0 C--N 1.316 -0.884 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.606 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.428 HG22 HD12 ' A' ' 8' ' ' ILE . 32.2 mm . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.83 0.347 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.462 ' O ' HG11 ' A' ' 12' ' ' VAL . . . -92.25 -88.01 1.5 Allowed Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.616 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -59.4 -32.65 70.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.834 0.35 . . . . 0.0 110.392 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.496 ' N ' ' HG ' ' A' ' 10' ' ' LEU . . . -37.54 -32.34 0.09 OUTLIER Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.462 HG11 ' O ' ' A' ' 9' ' ' GLY . 14.8 p -61.18 -39.94 84.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.72 0.295 . . . . 0.0 110.308 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -58.27 -48.97 80.34 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -70.51 -36.0 73.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.012 0.434 . . . . 0.0 110.476 179.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.453 ' CD2' ' HD1' ' A' ' 16' ' ' PHE . 11.5 tp -74.31 -66.42 0.73 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.477 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 4.3 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.957 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.569 0.223 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.59 ' CG ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -100.43 -31.78 11.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.465 179.333 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.756 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 96.7 m-85 -105.56 -178.04 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.893 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.756 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 13.8 p . . . . . 0 C--N 1.322 -0.621 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.676 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.507 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 11.2 tp . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.662 0.268 . . . . 0.0 110.73 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.447 ' N ' ' CG2' ' A' ' 8' ' ' ILE . . . -95.02 -41.46 4.04 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.584 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 3.0 tm? -62.59 -44.48 96.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.779 0.323 . . . . 0.0 110.716 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.536 ' O ' ' HG ' ' A' ' 15' ' ' LEU . . . -65.97 -37.4 93.17 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.603 ' O ' ' N ' ' A' ' 16' ' ' PHE . 42.9 t -60.86 -46.37 96.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.93 -38.51 94.28 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.592 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -69.97 -39.39 76.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.088 0.47 . . . . 0.0 110.564 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 65.0 mt -93.45 -61.17 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.542 -178.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.603 ' N ' ' O ' ' A' ' 12' ' ' VAL . 75.5 t80 . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.323 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.592 ' CB ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.464 0.232 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 3.0 mmtp -99.1 -34.92 10.19 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.737 0.779 . . . . 0.0 108.994 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.672 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 3.5 m-85 -106.66 175.63 5.44 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.169 -1.378 . . . . 0.0 108.895 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.672 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 3.6 p . . . . . 0 C--N 1.315 -0.907 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.484 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 9' ' ' GLY . 20.6 tt . . . . . 0 CA--C 1.527 0.078 0 CA-C-O 120.638 0.256 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.432 ' N ' ' CG2' ' A' ' 8' ' ' ILE . . . -89.81 -46.54 4.21 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.572 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -63.69 -41.76 98.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.662 0.267 . . . . 0.0 110.68 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.564 ' O ' ' HG ' ' A' ' 15' ' ' LEU . . . -64.02 -42.19 98.29 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.619 ' O ' ' N ' ' A' ' 16' ' ' PHE . 2.3 t -60.57 -46.31 95.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.727 -0.389 . . . . 0.0 109.952 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.94 -39.2 96.32 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.58 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -69.75 -39.43 76.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.193 0.521 . . . . 0.0 110.489 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 60.2 mt -91.65 -62.42 1.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.26 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.619 ' N ' ' O ' ' A' ' 12' ' ' VAL . 84.4 t80 . . . . . 0 N--CA 1.448 -0.539 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.236 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.58 ' CB ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 CA--C 1.532 0.272 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.603 ' CG ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -102.59 -34.45 9.09 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.675 0.75 . . . . 0.0 110.207 -179.732 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.718 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 96.5 m-85 -102.52 178.71 4.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.44 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.718 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.3 p . . . . . 0 C--N 1.318 -0.778 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.82 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.518 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 93.8 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.642 0.258 . . . . 0.0 110.711 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.69 -50.0 5.16 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.585 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -64.54 -41.65 96.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.748 0.309 . . . . 0.0 110.966 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.547 ' O ' ' HG ' ' A' ' 15' ' ' LEU . . . -63.16 -35.57 92.26 Favored Glycine 0 C--O 1.228 -0.257 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.581 ' O ' ' N ' ' A' ' 16' ' ' PHE . 25.4 t -60.6 -46.69 95.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.29 -38.49 95.12 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.526 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -69.68 -39.1 77.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.14 0.495 . . . . 0.0 110.56 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 6.4 mt -89.06 -60.7 1.88 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.303 -179.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.581 ' N ' ' O ' ' A' ' 12' ' ' VAL . 85.1 t80 . . . . . 0 C--N 1.323 -0.543 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.093 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 CA--C 1.533 0.304 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.599 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -102.54 -34.97 8.91 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.514 0.673 . . . . 0.0 109.613 179.799 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.657 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 94.4 m-85 -99.39 175.83 5.72 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.834 -1.076 . . . . 0.0 108.565 178.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.657 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 3.2 p . . . . . 0 C--N 1.316 -0.867 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.499 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.416 HG22 HD11 ' A' ' 8' ' ' ILE . 96.0 mt . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.707 0.289 . . . . 0.0 111.427 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.91 -98.91 0.44 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.371 -0.691 . . . . 0.0 111.371 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.655 ' CD1' ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -60.29 -26.84 66.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.747 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.655 ' N ' ' CD1' ' A' ' 10' ' ' LEU . . . -45.99 -26.34 2.04 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 -179.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.61 ' O ' ' N ' ' A' ' 16' ' ' PHE . 7.6 p -60.64 -38.63 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.405 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -62.7 -41.48 99.82 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.15 -39.0 79.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.18 0.514 . . . . 0.0 110.135 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.579 HD23 ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -89.33 -70.67 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.753 -179.872 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.61 ' N ' ' O ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.392 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.36 0.124 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.588 ' CD ' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -107.09 -40.71 5.36 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.2 -0.6 . . . . 0.0 112.062 179.482 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.568 ' O ' ' O ' ' A' ' 16' ' ' PHE . 28.3 m-85 -130.2 121.65 26.63 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.072 -179.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.52 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.2 mm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.625 0.25 . . . . 0.0 111.366 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.23 -56.36 2.57 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.703 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 11' ' ' GLY . 3.9 pp -63.47 -33.64 76.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.736 0.303 . . . . 0.0 111.11 -179.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.545 ' N ' HD12 ' A' ' 10' ' ' LEU . . . -57.27 -43.1 93.74 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 121.067 -0.587 . . . . 0.0 111.775 -179.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.61 ' O ' ' N ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -63.95 -40.31 88.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.889 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.45 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -64.67 -37.67 94.67 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.555 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -69.65 -38.8 77.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.152 0.501 . . . . 0.0 110.417 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.57 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 40.9 mt -91.27 -61.12 1.72 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.242 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.61 ' N ' ' O ' ' A' ' 12' ' ' VAL . 76.5 t80 . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.46 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.555 ' CB ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.572 ' HG2' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -103.24 -35.29 8.5 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.562 0.696 . . . . 0.0 109.506 179.648 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.68 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 93.3 m-85 -98.3 175.87 5.91 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.732 178.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.68 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 5.2 p . . . . . 0 C--N 1.317 -0.824 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.014 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.6 mt . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 120.69 0.281 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.43 -100.12 0.32 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.647 ' CD1' ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -61.29 -27.29 68.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.916 0.388 . . . . 0.0 110.604 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.647 ' N ' ' CD1' ' A' ' 10' ' ' LEU . . . -43.64 -24.47 0.44 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 16' ' ' PHE . 7.8 p -63.0 -39.17 84.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.056 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -62.96 -49.37 72.82 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.577 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -69.22 -41.69 76.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.201 0.524 . . . . 0.0 110.158 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.584 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -72.69 -61.34 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.756 -179.148 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.643 ' CZ ' ' CB ' ' A' ' 20' ' ' PHE . 19.8 t80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.425 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.577 ' CB ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.465 0.281 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.605 ' CG ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -101.89 -34.07 9.53 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.737 0.78 . . . . 0.0 109.587 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.7 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 97.5 m-85 -101.73 177.41 4.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.23 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.7 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.2 p . . . . . 0 C--N 1.318 -0.798 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.814 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 CA--C 1.528 0.126 0 CA-C-O 120.755 0.312 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.459 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -81.05 -57.21 2.87 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.584 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -64.14 -32.75 74.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.855 0.36 . . . . 0.0 110.781 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.552 ' O ' ' HG ' ' A' ' 15' ' ' LEU . . . -57.35 -46.65 91.58 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.636 ' O ' ' N ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -64.39 -42.25 94.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.225 179.753 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.502 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -65.1 -39.67 96.43 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.595 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -69.77 -37.05 76.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.018 0.437 . . . . 0.0 110.646 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 52.3 mt -95.18 -62.11 1.36 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.034 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.636 ' N ' ' O ' ' A' ' 12' ' ' VAL . 85.9 t80 . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.207 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.595 ' CB ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.464 0.273 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.616 ' HG3' ' CD1' ' A' ' 20' ' ' PHE . 2.0 ptpt -102.05 -17.67 15.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.469 0.652 . . . . 0.0 110.222 -178.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.702 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 14.2 m-85 -127.38 178.92 5.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.768 -1.106 . . . . 0.0 109.366 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.702 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.8 p . . . . . 0 C--N 1.32 -0.707 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.924 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.459 HD12 HG21 ' A' ' 8' ' ' ILE . 31.9 mm . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.812 0.339 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.5 -106.67 0.09 OUTLIER Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.624 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -60.55 -29.68 69.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.786 0.326 . . . . 0.0 110.187 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.426 ' N ' ' HG ' ' A' ' 10' ' ' LEU . . . -38.64 -20.14 0.01 OUTLIER Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.61 ' N ' ' O ' ' A' ' 10' ' ' LEU . 13.5 p -60.02 -38.01 74.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.579 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -57.18 -45.29 92.75 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -69.86 -36.06 75.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.95 0.405 . . . . 0.0 110.253 179.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.0 tp -74.21 -66.15 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.202 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.595 ' CD2' ' HE3' ' A' ' 19' ' ' LYS . 5.6 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.091 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.52 0.2 . . . . 0.0 111.486 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.595 ' HE3' ' CD2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -101.01 -23.79 14.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.203 0.525 . . . . 0.0 110.129 -179.532 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.751 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 14.4 m-30 -116.65 -178.55 3.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.681 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.751 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 14.0 p . . . . . 0 C--N 1.321 -0.661 0 CA-C-O 117.919 -1.038 . . . . 0.0 110.929 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.4 mm . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.753 0.311 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.57 -93.76 0.43 Allowed Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.667 ' O ' ' N ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -61.88 -41.32 97.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.769 0.318 . . . . 0.0 110.461 179.653 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.473 ' N ' HD11 ' A' ' 10' ' ' LEU . . . -30.81 -28.22 0.01 OUTLIER Glycine 0 CA--C 1.523 0.57 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.386 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.667 ' N ' ' O ' ' A' ' 10' ' ' LEU . 10.3 p -58.39 -45.03 89.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -65.54 -31.38 79.97 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.81 85.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 111.072 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.542 HD21 ' HB2' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -102.96 -47.74 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.494 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.625 ' N ' ' O ' ' A' ' 12' ' ' VAL . 11.2 t80 . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.599 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 111.437 0.162 . . . . 0.0 111.437 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.548 ' CD ' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -106.94 -40.79 5.37 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.309 -0.557 . . . . 0.0 111.93 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 24.2 m-85 -129.92 123.21 30.16 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.654 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.547 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.483 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.3 mm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.888 0.375 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.69 -102.08 0.12 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.621 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -61.47 -33.07 73.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.743 0.306 . . . . 0.0 110.394 -179.848 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.476 ' N ' ' HG ' ' A' ' 10' ' ' LEU . . . -36.79 -22.54 0.01 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.612 ' N ' ' O ' ' A' ' 10' ' ' LEU . 14.5 p -61.27 -40.43 86.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -57.41 -44.94 93.42 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.444 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -69.92 -36.49 75.39 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.432 -0.452 . . . . 0.0 110.515 179.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.516 ' O ' ' HD3' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -84.86 -69.06 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.793 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.605 ' N ' ' O ' ' A' ' 12' ' ' VAL . 41.3 t80 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.99 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.461 0.118 0 CA-C-O 120.779 0.323 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.574 ' CG ' ' CD1' ' A' ' 20' ' ' PHE . 0.5 OUTLIER -101.45 -33.31 10.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.195 0.521 . . . . 0.0 110.405 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.738 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 97.1 m-85 -103.64 -177.99 3.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.857 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.738 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 13.7 p . . . . . 0 C--N 1.321 -0.642 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.837 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.9 mm . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 120.624 0.25 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.06 -100.06 0.29 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.656 ' CD1' ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -60.54 -26.67 67.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.886 0.374 . . . . 0.0 110.667 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.656 ' N ' ' CD1' ' A' ' 10' ' ' LEU . . . -45.56 -24.62 1.16 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.603 ' HA ' ' CD1' ' A' ' 16' ' ' PHE . 8.9 p -62.18 -40.99 89.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.566 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -64.59 -49.06 66.62 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.489 ' O ' ' HB1' ' A' ' 18' ' ' ALA . . . -69.65 -40.74 76.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.15 0.5 . . . . 0.0 110.263 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.558 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -69.67 -67.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.473 -179.503 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.603 ' CD1' ' HA ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.009 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -101.82 -16.68 16.51 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.634 0.73 . . . . 0.0 109.825 -179.358 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.692 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 2.0 m-85 -126.93 177.23 6.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.456 -1.247 . . . . 0.0 108.998 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.692 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 8.9 p . . . . . 0 C--N 1.315 -0.921 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.903 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.675 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.675 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 2' ' ' DBU . 31.1 Cg_endo -64.67 -27.44 60.69 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.773 2.315 . . . . 0.0 112.253 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 1' ' ' ABA . . . -71.15 -19.47 62.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.955 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 1' ' ' ABA . 4.5 m -103.92 30.57 5.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.347 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.658 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -58.69 -48.59 80.59 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.302 -179.679 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . 0.533 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 93.3 mt -63.96 -44.1 97.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.065 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.521 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -101.25 -70.75 0.9 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.603 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -62.96 -39.79 95.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.04 0.448 . . . . 0.0 110.605 179.565 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.621 ' CA ' ' O ' ' A' ' 6' ' ' PHE . . . -33.8 -37.82 0.08 OUTLIER Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.621 ' O ' ' N ' ' A' ' 16' ' ' PHE . 13.2 p -61.25 -42.56 93.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.587 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -65.17 -46.05 89.24 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.12 -40.04 82.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.978 0.418 . . . . 0.0 110.143 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.544 ' HB3' ' O ' ' A' ' 11' ' ' GLY . 0.1 OUTLIER -86.49 -68.05 0.77 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.806 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.621 ' N ' ' O ' ' A' ' 12' ' ' VAL . 49.7 t80 -73.98 -30.45 62.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.155 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . 0.587 ' HA ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.66 -41.17 84.21 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.499 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -104.14 -35.21 8.12 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.721 0.772 . . . . 0.0 109.861 179.847 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.707 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 97.7 m-85 -98.82 179.25 4.71 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.471 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.707 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 12.0 p . . . . . 0 C--N 1.321 -0.657 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.683 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -64.36 -25.67 63.78 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.797 2.331 . . . . 0.0 112.443 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.36 -28.14 22.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.852 0.358 . . . . 0.0 110.535 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.0 m -74.95 -30.85 61.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.573 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.644 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -57.57 -49.08 77.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.705 -179.661 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . 0.535 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 94.1 mt -64.69 -43.98 96.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.403 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.7 -101.37 0.15 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.616 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -62.75 -33.38 75.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.958 0.409 . . . . 0.0 110.004 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.582 ' HA3' ' O ' ' A' ' 6' ' ' PHE . . . -35.57 -24.67 0.01 OUTLIER Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.599 ' N ' ' O ' ' A' ' 10' ' ' LEU . 7.4 p -61.77 -40.53 87.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.795 0.331 . . . . 0.0 110.384 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.62 ' O ' ' CA ' ' A' ' 17' ' ' DAL . . . -55.85 -43.56 87.27 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.68 -37.87 76.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.36 0.6 . . . . 0.0 109.703 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.613 ' HB2' ' CE1' ' A' ' 6' ' ' PHE . 41.7 tp -72.84 -69.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.175 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.527 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 6.4 m-85 -94.1 -28.31 15.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.428 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . 0.62 ' CA ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . -66.48 -40.77 89.51 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -178.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.578 ' CG ' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -101.07 -29.71 12.0 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.54 0.686 . . . . 0.0 109.47 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.679 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 92.4 m-85 -108.51 175.52 5.44 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.685 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.679 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 4.7 p . . . . . 0 C--N 1.317 -0.832 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.472 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.605 ' C ' ' HB2' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.431 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.431 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 43.0 Cg_exo -54.41 -36.57 88.0 Favored 'Trans proline' 0 C--N 1.303 -1.84 0 C-N-CA 122.841 2.36 . . . . 0.0 112.149 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.78 -29.41 65.61 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.538 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.605 ' HB2' ' C ' ' A' ' 1' ' ' ABA . 2.5 m -81.07 -29.56 34.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.563 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.645 ' O ' ' CA ' ' A' ' 11' ' ' GLY . 0.7 OUTLIER -57.47 -49.6 75.74 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.784 -179.564 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . 0.556 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.68 -43.9 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.503 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.521 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -102.1 -69.27 0.83 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.622 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -62.91 -33.38 75.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.967 0.413 . . . . 0.0 110.479 179.69 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.645 ' CA ' ' O ' ' A' ' 6' ' ' PHE . . . -42.27 -32.48 1.14 Allowed Glycine 0 CA--C 1.52 0.404 0 N-CA-C 111.399 -0.681 . . . . 0.0 111.399 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.611 ' O ' ' N ' ' A' ' 16' ' ' PHE . 7.2 p -61.35 -38.44 79.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.589 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -67.08 -46.87 68.51 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.32 -38.79 81.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.341 0.591 . . . . 0.0 109.971 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.576 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -85.7 -69.69 0.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.925 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.611 ' N ' ' O ' ' A' ' 12' ' ' VAL . 28.7 t80 -75.18 -29.72 60.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.49 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . 0.589 ' HA ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.45 -42.0 79.44 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.576 ' NZ ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -103.35 -35.23 8.47 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.792 0.806 . . . . 0.0 109.413 179.664 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.699 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 92.3 m-85 -98.43 177.64 5.28 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.275 -1.33 . . . . 0.0 109.457 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.699 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.3 p . . . . . 0 C--N 1.321 -0.653 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.987 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -67.2 -20.04 50.0 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 C-N-CA 122.82 2.347 . . . . 0.0 112.408 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.53 -28.15 26.87 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.723 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.4 m -74.75 -34.78 62.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.614 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.628 ' CD1' ' HA3' ' A' ' 11' ' ' GLY . 8.7 t80 -58.9 -46.84 86.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.701 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . 0.567 ' O ' ' O ' ' A' ' 6' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.558 HG13 ' N ' ' A' ' 9' ' ' GLY . 24.1 pt -68.44 -43.34 84.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.782 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.558 ' N ' HG13 ' A' ' 8' ' ' ILE . . . -99.23 -39.24 3.55 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.603 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 2.6 tm? -61.62 -42.71 99.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 0.0 110.8 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.628 ' HA3' ' CD1' ' A' ' 6' ' ' PHE . . . -60.85 -41.49 99.23 Favored Glycine 0 CA--C 1.519 0.333 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.585 ' O ' ' N ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -62.9 -40.05 87.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.419 -0.512 . . . . 0.0 109.933 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.578 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -64.12 -40.59 98.22 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.5 -40.38 77.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.263 0.554 . . . . 0.0 110.429 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.562 ' O ' ' CE ' ' A' ' 19' ' ' LYS . 2.3 mt -85.22 -61.21 1.82 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.036 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.585 ' N ' ' O ' ' A' ' 12' ' ' VAL . 79.5 t80 -74.71 -32.7 62.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.301 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . 0.578 ' HA ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.18 85.09 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.562 ' CE ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -102.86 -35.09 8.74 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.573 0.702 . . . . 0.0 109.536 179.497 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.684 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 94.4 m-85 -98.53 176.93 5.49 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.091 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.684 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 7.2 p . . . . . 0 C--N 1.318 -0.767 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.691 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.577 ' HB2' ' N ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 2' ' ' DBU . 30.1 Cg_endo -64.06 -31.16 65.96 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.753 2.302 . . . . 0.0 112.204 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.82 -29.02 65.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.558 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.577 ' N ' ' HB2' ' A' ' 1' ' ' ABA . 1.3 m -70.3 -27.5 64.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.43 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.619 ' O ' ' CA ' ' A' ' 11' ' ' GLY . 25.6 t80 -56.97 -48.37 78.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.735 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . 0.532 ' CG ' HD21 ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.5 mm -64.13 -43.88 97.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.189 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.489 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -88.48 -49.48 3.66 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.589 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -64.4 -35.02 79.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 110.711 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.619 ' CA ' ' O ' ' A' ' 6' ' ' PHE . . . -57.99 -46.38 92.62 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 -179.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.601 ' O ' ' N ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -64.67 -39.24 84.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.153 0.502 . . . . 0.0 109.991 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.588 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -64.23 -40.31 97.85 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.593 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -69.62 -38.11 77.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.02 0.438 . . . . 0.0 110.558 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 5.8 mt -89.14 -61.12 1.77 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.892 -179.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.601 ' N ' ' O ' ' A' ' 12' ' ' VAL . 64.8 t80 -74.68 -32.44 62.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.662 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . 0.588 ' HA ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.593 ' CB ' ' O ' ' A' ' 14' ' ' ALA . . . -66.32 -40.63 90.04 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.517 -178.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.592 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -103.66 -34.59 8.56 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.608 0.718 . . . . 0.0 110.164 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.701 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 89.8 m-85 -101.63 179.37 4.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.112 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.701 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.7 p . . . . . 0 C--N 1.319 -0.719 0 CA-C-O 117.898 -1.048 . . . . 0.0 110.725 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.478 ' C ' ' HB2' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.52 -22.06 52.08 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.794 2.33 . . . . 0.0 112.313 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.34 -27.95 25.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.657 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.478 ' HB2' ' C ' ' A' ' 1' ' ' ABA . 3.3 m -78.96 -26.14 43.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.405 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.668 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -57.48 -49.45 76.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.68 -179.389 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . 0.567 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.4 mm -65.65 -44.06 93.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.141 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.53 -104.04 0.05 OUTLIER Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.611 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -64.03 -31.75 73.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.971 0.415 . . . . 0.0 110.058 179.792 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.606 ' HA3' ' O ' ' A' ' 6' ' ' PHE . . . -36.75 -23.25 0.01 OUTLIER Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.591 ' N ' ' O ' ' A' ' 10' ' ' LEU . 1.6 p -63.03 -38.21 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.014 0.435 . . . . 0.0 110.118 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.65 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -53.95 -53.59 36.0 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.47 -42.2 87.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.095 0.474 . . . . 0.0 110.343 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.618 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 24.1 tp -65.06 -63.79 1.02 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.203 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.539 ' CD2' ' CD1' ' A' ' 20' ' ' PHE . 1.3 m-85 -75.13 -26.89 59.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.821 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . 0.65 ' HA ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.75 -39.29 80.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.272 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.588 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -101.47 -16.71 16.74 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.579 0.704 . . . . 0.0 109.93 -179.526 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.701 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 95.1 m-85 -127.06 177.53 6.59 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.605 -1.179 . . . . 0.0 109.436 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.701 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 7.5 p . . . . . 0 C--N 1.316 -0.856 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.905 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.564 ' HB2' ' N ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.504 ' N ' ' HB2' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.491 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 45.6 Cg_exo -54.05 -36.18 83.83 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.939 2.426 . . . . 0.0 112.384 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.74 -27.58 26.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 0.0 110.469 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.564 ' N ' ' HB2' ' A' ' 1' ' ' ABA . 2.3 m -75.16 -30.16 60.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.612 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.608 ' O ' ' O ' ' A' ' 7' ' ' DBU . 9.7 t80 -57.72 -48.99 78.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.006 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . 0.608 ' O ' ' O ' ' A' ' 6' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.576 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 94.0 mt -64.06 -43.92 97.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.866 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.91 -42.38 4.73 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.591 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 2.8 tm? -62.5 -44.74 95.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 0.0 110.751 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.607 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -65.43 -36.06 92.14 Favored Glycine 0 CA--C 1.518 0.257 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.599 ' O ' ' N ' ' A' ' 16' ' ' PHE . 42.6 t -61.16 -46.5 96.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.532 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -65.88 -39.34 94.97 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.521 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -69.71 -38.88 77.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.204 0.526 . . . . 0.0 110.568 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.542 ' O ' ' CE ' ' A' ' 19' ' ' LYS . 63.2 mt -92.98 -63.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.165 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.599 ' N ' ' O ' ' A' ' 12' ' ' VAL . 82.0 t80 -74.28 -30.64 62.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.473 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . 0.598 ' HB1' ' O ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 14' ' ' ALA . . . -66.81 -41.96 86.69 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -178.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.542 ' CE ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -102.72 -35.2 8.76 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.534 0.683 . . . . 0.0 109.528 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.666 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 98.8 m-85 -99.45 175.72 5.75 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.701 -1.136 . . . . 0.0 108.687 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 2.9 p . . . . . 0 C--N 1.316 -0.875 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.471 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.571 ' HB2' ' N ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -65.08 -25.71 58.44 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.794 2.329 . . . . 0.0 112.469 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.73 -27.52 22.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.853 0.359 . . . . 0.0 110.687 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.571 ' N ' ' HB2' ' A' ' 1' ' ' ABA . 1.5 m -65.99 -27.21 67.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.805 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.605 ' CD2' ' HA3' ' A' ' 11' ' ' GLY . 1.1 t80 -57.43 -48.71 78.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.588 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . 0.601 ' O ' ' O ' ' A' ' 6' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.51 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 16.6 tt -68.32 -41.74 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.802 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.25 -41.87 3.87 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.582 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 3.1 tm? -62.44 -44.73 95.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 110.687 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.605 ' HA3' ' CD2' ' A' ' 6' ' ' PHE . . . -65.87 -37.64 93.52 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.593 ' O ' ' N ' ' A' ' 16' ' ' PHE . 38.7 t -60.97 -46.1 97.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.534 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -65.69 -39.96 95.59 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.537 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -69.94 -39.62 75.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.191 0.52 . . . . 0.0 110.58 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.582 ' CD1' ' CE2' ' A' ' 6' ' ' PHE . 66.5 mt -92.66 -63.27 1.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.263 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.593 ' N ' ' O ' ' A' ' 12' ' ' VAL . 82.8 t80 -74.3 -30.74 62.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.415 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . 0.581 ' HB1' ' O ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 14' ' ' ALA . . . -66.28 -41.98 89.08 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -178.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -102.95 -35.26 8.64 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.601 0.715 . . . . 0.0 109.685 179.832 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.676 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 94.2 m-85 -99.39 176.44 5.51 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.571 -1.195 . . . . 0.0 108.797 179.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.676 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 3.9 p . . . . . 0 C--N 1.316 -0.884 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.606 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.604 ' C ' ' HB2' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.507 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.507 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 45.3 Cg_exo -54.42 -36.23 87.12 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.754 2.303 . . . . 0.0 112.138 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.24 -28.31 65.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.668 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.604 ' HB2' ' C ' ' A' ' 1' ' ' ABA . 3.0 m -84.45 -16.12 43.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.605 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.642 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -57.91 -49.82 75.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.669 -179.553 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . 0.554 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.428 HG22 HD12 ' A' ' 8' ' ' ILE . 32.2 mm -66.51 -43.89 90.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.462 ' O ' HG11 ' A' ' 12' ' ' VAL . . . -92.25 -88.01 1.5 Allowed Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.616 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -59.4 -32.65 70.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.834 0.35 . . . . 0.0 110.392 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.639 ' CA ' ' O ' ' A' ' 6' ' ' PHE . . . -37.54 -32.34 0.09 OUTLIER Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.462 HG11 ' O ' ' A' ' 9' ' ' GLY . 14.8 p -61.18 -39.94 84.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.72 0.295 . . . . 0.0 110.308 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.653 ' O ' ' CA ' ' A' ' 17' ' ' DAL . . . -58.27 -48.97 80.34 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -70.51 -36.0 73.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.012 0.434 . . . . 0.0 110.476 179.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.594 ' HB2' ' CE1' ' A' ' 6' ' ' PHE . 11.5 tp -74.31 -66.42 0.73 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.477 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 4.3 m-85 -95.68 -30.72 13.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.957 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . 0.653 ' CA ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . -68.75 -41.98 78.14 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.014 -178.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.59 ' CG ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -100.43 -31.78 11.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.465 179.333 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.756 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 96.7 m-85 -105.56 -178.04 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.893 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.756 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 13.8 p . . . . . 0 C--N 1.322 -0.621 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.676 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.586 ' HB2' ' N ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.495 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 44.7 Cg_exo -54.35 -35.99 85.8 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.888 2.392 . . . . 0.0 112.485 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' A' ' 7' ' ' DBU . . . -84.58 -27.23 27.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.846 0.355 . . . . 0.0 110.637 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.586 ' N ' ' HB2' ' A' ' 1' ' ' ABA . 1.3 m -65.8 -31.19 72.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.762 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.605 ' O ' ' O ' ' A' ' 7' ' ' DBU . 1.0 OUTLIER -57.62 -48.91 78.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.547 -179.431 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . 0.605 ' O ' ' O ' ' A' ' 6' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.507 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 11.2 tp -68.18 -41.96 84.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.73 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.447 ' N ' ' CG2' ' A' ' 8' ' ' ILE . . . -95.02 -41.46 4.04 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.584 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 3.0 tm? -62.59 -44.48 96.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.779 0.323 . . . . 0.0 110.716 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.601 ' HA3' ' CD2' ' A' ' 6' ' ' PHE . . . -65.97 -37.4 93.17 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.603 ' O ' ' N ' ' A' ' 16' ' ' PHE . 42.9 t -60.86 -46.37 96.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.543 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -65.93 -38.51 94.28 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.592 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -69.97 -39.39 76.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.088 0.47 . . . . 0.0 110.564 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.575 HD13 ' CE2' ' A' ' 6' ' ' PHE . 65.0 mt -93.45 -61.17 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.542 -178.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.603 ' N ' ' O ' ' A' ' 12' ' ' VAL . 75.5 t80 -73.98 -31.71 63.11 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.323 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . 0.56 ' HB1' ' O ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.592 ' CB ' ' O ' ' A' ' 14' ' ' ALA . . . -68.73 -38.29 80.08 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.554 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 3.0 mmtp -99.1 -34.92 10.19 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.737 0.779 . . . . 0.0 108.994 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.672 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 3.5 m-85 -106.66 175.63 5.44 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.169 -1.378 . . . . 0.0 108.895 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.672 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 3.6 p . . . . . 0 C--N 1.315 -0.907 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.484 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.574 ' HB2' ' N ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -65.45 -26.02 55.43 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.722 2.281 . . . . 0.0 112.151 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.514 ' O ' ' HG1' ' A' ' 7' ' ' DBU . . . -88.2 -27.67 21.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.658 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.574 ' N ' ' HB2' ' A' ' 1' ' ' ABA . 1.6 m -66.22 -30.63 71.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.478 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.636 ' O ' ' O ' ' A' ' 7' ' ' DBU . 12.8 t80 -57.9 -49.06 78.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.843 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . 0.636 ' O ' ' O ' ' A' ' 6' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 9' ' ' GLY . 20.6 tt -68.38 -41.6 83.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.015 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.432 ' N ' ' CG2' ' A' ' 8' ' ' ILE . . . -89.81 -46.54 4.21 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.572 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -63.69 -41.76 98.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.662 0.267 . . . . 0.0 110.68 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.612 ' CA ' ' O ' ' A' ' 6' ' ' PHE . . . -64.02 -42.19 98.29 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.619 ' O ' ' N ' ' A' ' 16' ' ' PHE . 2.3 t -60.57 -46.31 95.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.727 -0.389 . . . . 0.0 109.952 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.567 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -64.94 -39.2 96.32 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.58 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -69.75 -39.43 76.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.193 0.521 . . . . 0.0 110.489 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 60.2 mt -91.65 -62.42 1.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.26 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.619 ' N ' ' O ' ' A' ' 12' ' ' VAL . 84.4 t80 -74.55 -32.67 62.52 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.236 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . 0.58 ' HB1' ' O ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.58 ' CB ' ' O ' ' A' ' 14' ' ' ALA . . . -66.68 -41.09 88.66 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.704 -178.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.603 ' CG ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -102.59 -34.45 9.09 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.675 0.75 . . . . 0.0 110.207 -179.732 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.718 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 96.5 m-85 -102.52 178.71 4.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.44 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.718 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.3 p . . . . . 0 C--N 1.318 -0.778 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.82 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.459 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.671 ' N ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.595 ' HD3' ' HB ' ' A' ' 2' ' ' DBU . 32.4 Cg_endo -65.53 -25.02 55.56 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.827 2.352 . . . . 0.0 112.421 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.521 ' O ' ' HG1' ' A' ' 7' ' ' DBU . . . -107.49 18.51 21.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.006 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.671 ' SG ' ' N ' ' A' ' 2' ' ' DBU . 33.2 m -34.55 -32.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.621 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.629 ' O ' ' O ' ' A' ' 7' ' ' DBU . 2.4 t80 -59.93 -49.76 76.42 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.642 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . 0.629 ' O ' ' O ' ' A' ' 6' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.518 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 93.8 mt -63.26 -44.35 99.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 O-C-N 122.05 -0.406 . . . . 0.0 110.711 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.69 -50.0 5.16 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.585 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -64.54 -41.65 96.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.748 0.309 . . . . 0.0 110.966 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.623 ' CA ' ' O ' ' A' ' 6' ' ' PHE . . . -63.16 -35.57 92.26 Favored Glycine 0 C--O 1.228 -0.257 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.581 ' O ' ' N ' ' A' ' 16' ' ' PHE . 25.4 t -60.6 -46.69 95.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.55 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -65.29 -38.49 95.12 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.526 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -69.68 -39.1 77.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.14 0.495 . . . . 0.0 110.56 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 6.4 mt -89.06 -60.7 1.88 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.303 -179.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.581 ' N ' ' O ' ' A' ' 12' ' ' VAL . 85.1 t80 -74.85 -31.54 61.66 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.093 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . 0.591 ' HB1' ' O ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 14' ' ' ALA . . . -67.14 -41.83 85.45 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -178.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.599 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -102.54 -34.97 8.91 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.514 0.673 . . . . 0.0 109.613 179.799 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.657 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 94.4 m-85 -99.39 175.83 5.72 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.834 -1.076 . . . . 0.0 108.565 178.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.657 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 3.2 p . . . . . 0 C--N 1.316 -0.867 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.499 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.637 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.637 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 43.4 Cg_exo -54.22 -36.85 87.29 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.715 2.276 . . . . 0.0 112.241 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 1' ' ' ABA . . . -70.93 -28.79 64.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.435 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.597 ' N ' ' HB2' ' A' ' 1' ' ' ABA . 1.4 m -74.06 -36.64 64.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.748 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.666 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -58.23 -49.43 77.13 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.595 -179.73 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . 0.564 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.416 HG22 HD11 ' A' ' 8' ' ' ILE . 96.0 mt -65.16 -43.83 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.427 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.91 -98.91 0.44 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.371 -0.691 . . . . 0.0 111.371 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.655 ' CD1' ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -60.29 -26.84 66.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.747 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.655 ' N ' ' CD1' ' A' ' 10' ' ' LEU . . . -45.99 -26.34 2.04 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 -179.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.61 ' O ' ' N ' ' A' ' 16' ' ' PHE . 7.6 p -60.64 -38.63 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.586 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -62.7 -41.48 99.82 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.15 -39.0 79.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.18 0.514 . . . . 0.0 110.135 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.579 HD23 ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -89.33 -70.67 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.753 -179.872 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.61 ' N ' ' O ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -74.26 -28.45 61.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.392 -179.07 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . 0.588 ' CB ' ' O ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.71 -45.04 72.6 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.969 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.588 ' CD ' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -107.09 -40.71 5.36 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.2 -0.6 . . . . 0.0 112.062 179.482 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.588 ' O ' ' CB ' ' A' ' 17' ' ' DAL . 28.3 m-85 -130.2 121.65 26.63 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.072 -179.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.411 ' HA ' ' HB2' ' A' ' 17' ' ' DAL . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.52 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.41 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.677 ' N ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.576 ' HD3' ' HB ' ' A' ' 2' ' ' DBU . 34.0 Cg_endo -65.51 -24.75 56.03 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.748 2.298 . . . . 0.0 112.446 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.545 ' O ' ' N ' ' A' ' 7' ' ' DBU . . . -107.51 18.88 20.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.98 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.677 ' SG ' ' N ' ' A' ' 2' ' ' DBU . 31.1 m -33.98 -36.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.527 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.64 ' O ' ' CA ' ' A' ' 11' ' ' GLY . 0.9 OUTLIER -60.31 -48.89 79.82 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.045 179.745 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . 0.59 ' O ' ' O ' ' A' ' 6' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.2 mm -64.54 -43.93 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.366 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.23 -56.36 2.57 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.703 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 11' ' ' GLY . 3.9 pp -63.47 -33.64 76.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.736 0.303 . . . . 0.0 111.11 -179.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.64 ' CA ' ' O ' ' A' ' 6' ' ' PHE . . . -57.27 -43.1 93.74 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 121.067 -0.587 . . . . 0.0 111.775 -179.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.61 ' O ' ' N ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -63.95 -40.31 88.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.889 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.565 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -64.67 -37.67 94.67 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.555 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -69.65 -38.8 77.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.152 0.501 . . . . 0.0 110.417 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.57 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 40.9 mt -91.27 -61.12 1.72 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.242 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.61 ' N ' ' O ' ' A' ' 12' ' ' VAL . 76.5 t80 -74.07 -31.5 62.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.46 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . 0.595 ' HB1' ' O ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.555 ' CB ' ' O ' ' A' ' 14' ' ' ALA . . . -66.46 -42.11 88.07 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.572 ' HG2' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -103.24 -35.29 8.5 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.562 0.696 . . . . 0.0 109.506 179.648 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.68 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 93.3 m-85 -98.3 175.87 5.91 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.732 178.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.68 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 5.2 p . . . . . 0 C--N 1.317 -0.824 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.014 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.563 ' HB2' ' N ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.402 ' H ' ' HB2' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -65.07 -26.21 58.14 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.74 2.293 . . . . 0.0 112.211 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 7' ' ' DBU . . . -87.87 -28.01 21.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.589 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.563 ' N ' ' HB2' ' A' ' 1' ' ' ABA . 1.6 m -68.22 -36.58 79.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.531 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.725 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -57.63 -50.14 74.13 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.276 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . 0.549 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.82 -44.11 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.752 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.43 -100.12 0.32 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.647 ' CD1' ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -61.29 -27.29 68.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.916 0.388 . . . . 0.0 110.604 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.647 ' N ' ' CD1' ' A' ' 10' ' ' LEU . . . -43.64 -24.47 0.44 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 16' ' ' PHE . 7.8 p -63.0 -39.17 84.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.056 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.646 ' O ' ' CA ' ' A' ' 17' ' ' DAL . . . -62.96 -49.37 72.82 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.577 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -69.22 -41.69 76.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.201 0.524 . . . . 0.0 110.158 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.584 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -72.69 -61.34 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.756 -179.148 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.643 ' CZ ' ' CB ' ' A' ' 20' ' ' PHE . 19.8 t80 -95.95 -31.14 13.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.425 -179.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . 0.646 ' CA ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.577 ' CB ' ' O ' ' A' ' 14' ' ' ALA . . . -66.31 -41.55 89.54 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -178.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.605 ' CG ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -101.89 -34.07 9.53 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.737 0.78 . . . . 0.0 109.587 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.7 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 97.5 m-85 -101.73 177.41 4.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.23 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.7 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.2 p . . . . . 0 C--N 1.318 -0.798 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.814 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.503 ' C ' ' HB2' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.418 ' CG ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -54.4 -36.43 87.53 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.843 2.362 . . . . 0.0 112.081 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.488 ' O ' ' HG1' ' A' ' 7' ' ' DBU . . . -86.9 -28.55 22.73 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.492 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.503 ' HB2' ' C ' ' A' ' 1' ' ' ABA . 1.9 m -73.62 -38.4 65.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.344 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.631 ' O ' ' CA ' ' A' ' 11' ' ' GLY . 34.1 t80 -59.77 -48.22 82.57 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.713 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . 0.578 ' O ' ' O ' ' A' ' 6' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.98 -44.06 97.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.072 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.459 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -81.05 -57.21 2.87 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.584 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -64.14 -32.75 74.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.855 0.36 . . . . 0.0 110.781 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.631 ' CA ' ' O ' ' A' ' 6' ' ' PHE . . . -57.35 -46.65 91.58 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.636 ' O ' ' N ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -64.39 -42.25 94.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.225 179.753 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.566 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -65.1 -39.67 96.43 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.595 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -69.77 -37.05 76.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.018 0.437 . . . . 0.0 110.646 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.583 HD12 ' CE1' ' A' ' 6' ' ' PHE . 52.3 mt -95.18 -62.11 1.36 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.034 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.636 ' N ' ' O ' ' A' ' 12' ' ' VAL . 85.9 t80 -74.34 -32.01 62.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.207 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . 0.568 ' O ' ' O ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.595 ' CB ' ' O ' ' A' ' 14' ' ' ALA . . . -68.82 -37.93 79.52 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.389 -178.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.616 ' HG3' ' CD1' ' A' ' 20' ' ' PHE . 2.0 ptpt -102.05 -17.67 15.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.469 0.652 . . . . 0.0 110.222 -178.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.702 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 14.2 m-85 -127.38 178.92 5.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.768 -1.106 . . . . 0.0 109.366 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.702 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.8 p . . . . . 0 C--N 1.32 -0.707 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.924 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.611 ' O ' ' CG ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.662 ' N ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.633 ' HD3' ' HB ' ' A' ' 2' ' ' DBU . 56.9 Cg_endo -74.16 -34.31 5.03 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.756 2.304 . . . . 0.0 112.565 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.48 -27.91 65.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.723 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.662 ' SG ' ' N ' ' A' ' 2' ' ' DBU . 0.0 OUTLIER -82.4 -23.0 35.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.484 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.684 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -59.0 -49.83 76.39 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.533 -179.486 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . 0.543 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.459 HD12 HG21 ' A' ' 8' ' ' ILE . 31.9 mm -65.2 -44.29 95.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.976 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.5 -106.67 0.09 OUTLIER Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.624 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -60.55 -29.68 69.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.786 0.326 . . . . 0.0 110.187 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.597 ' HA3' ' O ' ' A' ' 6' ' ' PHE . . . -38.64 -20.14 0.01 OUTLIER Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.61 ' N ' ' O ' ' A' ' 10' ' ' LEU . 13.5 p -60.02 -38.01 74.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.645 ' O ' ' CA ' ' A' ' 17' ' ' DAL . . . -57.18 -45.29 92.75 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -69.86 -36.06 75.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.95 0.405 . . . . 0.0 110.253 179.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.607 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 18.0 tp -74.21 -66.15 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.202 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.595 ' CD2' ' HE3' ' A' ' 19' ' ' LYS . 5.6 m-85 -96.1 -30.27 13.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.091 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . 0.645 ' CA ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . -68.24 -40.8 81.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.486 -179.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.595 ' HE3' ' CD2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -101.01 -23.79 14.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.203 0.525 . . . . 0.0 110.129 -179.532 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.751 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 14.4 m-30 -116.65 -178.55 3.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.681 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.751 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 14.0 p . . . . . 0 C--N 1.321 -0.661 0 CA-C-O 117.919 -1.038 . . . . 0.0 110.929 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.452 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.641 ' N ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.585 ' HD3' ' HB ' ' A' ' 2' ' ' DBU . 38.3 Cg_endo -67.7 -28.7 36.92 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.829 2.353 . . . . 0.0 112.408 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 7' ' ' DBU . . . -107.36 18.51 21.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.607 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.641 ' SG ' ' N ' ' A' ' 2' ' ' DBU . 12.2 m -29.56 -50.14 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.546 -178.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.703 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -60.46 -49.72 76.45 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.221 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . 0.585 ' N ' ' O ' ' A' ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.4 mm -64.64 -43.93 96.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.901 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.57 -93.76 0.43 Allowed Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.667 ' O ' ' N ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -61.88 -41.32 97.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.769 0.318 . . . . 0.0 110.461 179.653 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.626 ' HA3' ' O ' ' A' ' 6' ' ' PHE . . . -30.81 -28.22 0.01 OUTLIER Glycine 0 CA--C 1.523 0.57 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.386 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.667 ' N ' ' O ' ' A' ' 10' ' ' LEU . 10.3 p -58.39 -45.03 89.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.531 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -65.54 -31.38 79.97 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.81 85.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 111.072 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.609 HD23 ' CE1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -102.96 -47.74 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.494 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.625 ' N ' ' O ' ' A' ' 12' ' ' VAL . 11.2 t80 -77.33 -32.07 54.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.599 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . 0.589 ' CB ' ' O ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.13 -45.54 69.86 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.376 -0.53 . . . . 0.0 111.437 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.548 ' CD ' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -106.94 -40.79 5.37 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.309 -0.557 . . . . 0.0 111.93 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.589 ' O ' ' CB ' ' A' ' 17' ' ' DAL . 24.2 m-85 -129.92 123.21 30.16 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.654 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.427 ' HA ' ' HB2' ' A' ' 17' ' ' DAL . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.547 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.483 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.77 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.77 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -80.35 -24.53 5.36 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.917 2.411 . . . . 0.0 112.348 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.5 -32.55 70.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.91 0.386 . . . . 0.0 111.188 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.628 ' HB2' ' O ' ' A' ' 1' ' ' ABA . 11.5 m -77.4 -34.48 54.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.366 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.676 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -58.52 -49.21 78.2 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.468 -179.586 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . 0.56 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.3 mm -65.24 -44.06 95.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.69 -102.08 0.12 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.621 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -61.47 -33.07 73.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.743 0.306 . . . . 0.0 110.394 -179.848 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.609 ' HA3' ' O ' ' A' ' 6' ' ' PHE . . . -36.79 -22.54 0.01 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.612 ' N ' ' O ' ' A' ' 10' ' ' LEU . 14.5 p -61.27 -40.43 86.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.597 ' O ' ' CA ' ' A' ' 17' ' ' DAL . . . -57.41 -44.94 93.42 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.444 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -69.92 -36.49 75.39 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.432 -0.452 . . . . 0.0 110.515 179.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.601 ' HB3' ' CE1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -84.86 -69.06 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.793 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.605 ' N ' ' O ' ' A' ' 12' ' ' VAL . 41.3 t80 -76.68 -31.8 57.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.99 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . 0.625 ' HB1' ' C ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 14' ' ' ALA . . . -67.71 -41.96 82.72 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.272 -179.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.574 ' CG ' ' CD1' ' A' ' 20' ' ' PHE . 0.5 OUTLIER -101.45 -33.31 10.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.195 0.521 . . . . 0.0 110.405 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.738 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 97.1 m-85 -103.64 -177.99 3.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.857 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.738 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 13.7 p . . . . . 0 C--N 1.321 -0.642 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.837 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ABA . . . . . 0.499 ' C ' ' HB2' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.492 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.492 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 41.7 Cg_exo -54.49 -36.54 88.57 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.711 2.274 . . . . 0.0 112.297 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.79 -29.37 65.54 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.492 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.499 ' HB2' ' C ' ' A' ' 1' ' ' ABA . 3.9 m -80.48 -33.43 36.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.535 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.74 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -57.77 -50.37 73.48 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.458 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . 0.565 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.9 mm -65.43 -43.81 94.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.651 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.06 -100.06 0.29 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.656 ' CD1' ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -60.54 -26.67 67.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.886 0.374 . . . . 0.0 110.667 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.656 ' N ' ' CD1' ' A' ' 10' ' ' LEU . . . -45.56 -24.62 1.16 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.603 ' HA ' ' CD1' ' A' ' 16' ' ' PHE . 8.9 p -62.18 -40.99 89.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.626 ' O ' ' CA ' ' A' ' 17' ' ' DAL . . . -64.59 -49.06 66.62 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.489 ' O ' ' HB1' ' A' ' 18' ' ' ALA . . . -69.65 -40.74 76.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.15 0.5 . . . . 0.0 110.263 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.558 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -69.67 -67.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.473 -179.503 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.603 ' CD1' ' HA ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -95.79 -29.9 13.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.009 -179.283 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . 0.637 ' O ' ' O ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . -69.42 -37.96 77.69 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.241 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -101.82 -16.68 16.51 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.634 0.73 . . . . 0.0 109.825 -179.358 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.692 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 2.0 m-85 -126.93 177.23 6.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.456 -1.247 . . . . 0.0 108.998 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.692 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 8.9 p . . . . . 0 C--N 1.315 -0.921 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.903 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 93.3 mt . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.751 0.31 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.904 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -101.25 -70.75 0.9 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.834 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -62.96 -39.79 95.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.04 0.448 . . . . 0.0 110.605 179.565 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.56 ' O ' ' HB3' ' A' ' 15' ' ' LEU . . . -33.8 -37.82 0.08 OUTLIER Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.904 HG12 ' O ' ' A' ' 9' ' ' GLY . 13.2 p -61.25 -42.56 93.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.572 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -65.17 -46.05 89.24 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.759 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -68.12 -40.04 82.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.978 0.418 . . . . 0.0 110.143 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.785 HD23 ' N ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -86.49 -68.05 0.77 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.806 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.785 ' N ' HD23 ' A' ' 15' ' ' LEU . 49.7 t80 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.155 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.759 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -104.14 -35.21 8.12 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.721 0.772 . . . . 0.0 109.861 179.847 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.707 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 97.7 m-85 -98.82 179.25 4.71 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.471 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.707 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 12.0 p . . . . . 0 C--N 1.321 -0.657 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.683 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 94.1 mt . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.692 0.282 . . . . 0.0 111.403 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.7 -101.37 0.15 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.854 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -62.75 -33.38 75.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.958 0.409 . . . . 0.0 110.004 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.434 ' N ' ' HG ' ' A' ' 10' ' ' LEU . . . -35.57 -24.67 0.01 OUTLIER Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.599 ' N ' ' O ' ' A' ' 10' ' ' LEU . 7.4 p -61.77 -40.53 87.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.795 0.331 . . . . 0.0 110.384 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.56 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -55.85 -43.56 87.27 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.68 -37.87 76.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.36 0.6 . . . . 0.0 109.703 178.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.7 tp -72.84 -69.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.175 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.521 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 6.4 m-85 . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.428 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . 0 N--CA 1.465 0.289 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.597 ' HG2' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -101.07 -29.71 12.0 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.54 0.686 . . . . 0.0 109.47 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.672 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 92.4 m-85 -108.51 175.52 5.44 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.685 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.672 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 4.7 p . . . . . 0 C--N 1.317 -0.832 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.472 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.1 mt . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.611 0.243 . . . . 0.0 111.503 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.975 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -102.1 -69.27 0.83 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.85 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -62.91 -33.38 75.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.967 0.413 . . . . 0.0 110.479 179.69 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.537 ' O ' ' HB3' ' A' ' 15' ' ' LEU . . . -42.27 -32.48 1.14 Allowed Glycine 0 CA--C 1.52 0.404 0 N-CA-C 111.399 -0.681 . . . . 0.0 111.399 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.975 HG12 ' O ' ' A' ' 9' ' ' GLY . 7.2 p -61.35 -38.44 79.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -67.08 -46.87 68.51 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.532 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -68.32 -38.79 81.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.341 0.591 . . . . 0.0 109.971 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.576 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -85.7 -69.69 0.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.925 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.611 ' N ' ' O ' ' A' ' 12' ' ' VAL . 28.7 t80 . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.49 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.574 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . . . . . . 0 N--CA 1.465 0.283 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.576 ' NZ ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -103.35 -35.23 8.47 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.792 0.806 . . . . 0.0 109.413 179.664 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.698 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 92.3 m-85 -98.43 177.64 5.28 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.275 -1.33 . . . . 0.0 109.457 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.698 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.3 p . . . . . 0 C--N 1.321 -0.653 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.987 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.575 HG13 ' N ' ' A' ' 9' ' ' GLY . 24.1 pt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.713 0.292 . . . . 0.0 110.782 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.629 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -99.23 -39.24 3.55 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.888 HD13 ' C ' ' A' ' 10' ' ' LEU . 2.6 tm? -61.62 -42.71 99.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 0.0 110.8 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.532 ' O ' ' HG ' ' A' ' 15' ' ' LEU . . . -60.85 -41.49 99.23 Favored Glycine 0 CA--C 1.519 0.333 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.629 HG12 ' O ' ' A' ' 9' ' ' GLY . 0.3 OUTLIER -62.9 -40.05 87.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.419 -0.512 . . . . 0.0 109.933 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.454 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -64.12 -40.59 98.22 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.862 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.5 -40.38 77.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.263 0.554 . . . . 0.0 110.429 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.562 ' O ' ' CE ' ' A' ' 19' ' ' LYS . 2.3 mt -85.22 -61.21 1.82 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.036 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.585 ' N ' ' O ' ' A' ' 12' ' ' VAL . 79.5 t80 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.301 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.862 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 CA--C 1.531 0.23 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.562 ' CE ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -102.86 -35.09 8.74 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.573 0.702 . . . . 0.0 109.536 179.497 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.684 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 94.4 m-85 -98.53 176.93 5.49 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.091 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.684 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 7.2 p . . . . . 0 C--N 1.318 -0.767 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.691 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.41 ' HA ' HD13 ' A' ' 8' ' ' ILE . 31.5 mm . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 120.684 0.278 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.496 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -88.48 -49.48 3.66 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.816 HD12 ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -64.4 -35.02 79.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 110.711 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.558 ' O ' ' HG ' ' A' ' 15' ' ' LEU . . . -57.99 -46.38 92.62 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 -179.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.601 ' O ' ' N ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -64.67 -39.24 84.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.153 0.502 . . . . 0.0 109.991 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.448 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -64.23 -40.31 97.85 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 1.034 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.62 -38.11 77.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.02 0.438 . . . . 0.0 110.558 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 5.8 mt -89.14 -61.12 1.77 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.892 -179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.601 ' N ' ' O ' ' A' ' 12' ' ' VAL . 64.8 t80 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.662 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.034 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.62 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -103.66 -34.59 8.56 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.608 0.718 . . . . 0.0 110.164 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.7 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 89.8 m-85 -101.63 179.37 4.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.112 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.7 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.7 p . . . . . 0 C--N 1.319 -0.719 0 CA-C-O 117.898 -1.048 . . . . 0.0 110.725 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.4 mm . . . . . 0 N--CA 1.462 0.131 0 CA-C-O 120.763 0.316 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.53 -104.04 0.05 OUTLIER Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.851 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -64.03 -31.75 73.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.971 0.415 . . . . 0.0 110.058 179.792 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.417 ' N ' ' HG ' ' A' ' 10' ' ' LEU . . . -36.75 -23.25 0.01 OUTLIER Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.591 ' N ' ' O ' ' A' ' 10' ' ' LEU . 1.6 p -63.03 -38.21 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.014 0.435 . . . . 0.0 110.118 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.488 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -53.95 -53.59 36.0 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.47 -42.2 87.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.095 0.474 . . . . 0.0 110.343 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.1 tp -65.06 -63.79 1.02 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.203 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.539 ' CD2' ' CD1' ' A' ' 20' ' ' PHE . 1.3 m-85 . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.821 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.612 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -101.47 -16.71 16.74 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.579 0.704 . . . . 0.0 109.93 -179.526 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.701 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 95.1 m-85 -127.06 177.53 6.59 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.605 -1.179 . . . . 0.0 109.436 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.701 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 7.5 p . . . . . 0 C--N 1.316 -0.856 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.905 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.831 ' O ' HG23 ' A' ' 12' ' ' VAL . 94.0 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.757 0.313 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.91 -42.38 4.73 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.88 HD13 ' C ' ' A' ' 10' ' ' LEU . 2.8 tm? -62.5 -44.74 95.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 0.0 110.751 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.526 ' O ' ' HG ' ' A' ' 15' ' ' LEU . . . -65.43 -36.06 92.14 Favored Glycine 0 CA--C 1.518 0.257 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 8' ' ' ILE . 42.6 t -61.16 -46.5 96.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.88 -39.34 94.97 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.989 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.71 -38.88 77.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.204 0.526 . . . . 0.0 110.568 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.542 ' O ' ' CE ' ' A' ' 19' ' ' LYS . 63.2 mt -92.98 -63.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.165 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.599 ' N ' ' O ' ' A' ' 12' ' ' VAL . 82.0 t80 . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.473 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.989 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.466 0.362 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.542 ' CE ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -102.72 -35.2 8.76 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.534 0.683 . . . . 0.0 109.528 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.666 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 98.8 m-85 -99.45 175.72 5.75 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.701 -1.136 . . . . 0.0 108.687 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 2.9 p . . . . . 0 C--N 1.316 -0.875 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.471 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.695 ' O ' HG23 ' A' ' 12' ' ' VAL . 16.6 tt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.738 0.304 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.495 ' N ' HG23 ' A' ' 8' ' ' ILE . . . -95.25 -41.87 3.87 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.866 HD13 ' C ' ' A' ' 10' ' ' LEU . 3.1 tm? -62.44 -44.73 95.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 110.687 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.517 ' O ' ' HG ' ' A' ' 15' ' ' LEU . . . -65.87 -37.64 93.52 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 8' ' ' ILE . 38.7 t -60.97 -46.1 97.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.69 -39.96 95.59 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 1.008 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.94 -39.62 75.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.191 0.52 . . . . 0.0 110.58 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 66.5 mt -92.66 -63.27 1.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.263 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.593 ' N ' ' O ' ' A' ' 12' ' ' VAL . 82.8 t80 . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.415 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.008 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.466 0.343 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.548 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -102.95 -35.26 8.64 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.601 0.715 . . . . 0.0 109.685 179.832 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.676 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 94.2 m-85 -99.39 176.44 5.51 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.571 -1.195 . . . . 0.0 108.797 179.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.676 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 3.9 p . . . . . 0 C--N 1.316 -0.884 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.606 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.419 HD13 ' HA ' ' A' ' 8' ' ' ILE . 32.2 mm . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.83 0.347 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.604 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -92.25 -88.01 1.5 Allowed Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.819 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -59.4 -32.65 70.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.834 0.35 . . . . 0.0 110.392 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.495 ' N ' ' HG ' ' A' ' 10' ' ' LEU . . . -37.54 -32.34 0.09 OUTLIER Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.604 HG12 ' O ' ' A' ' 9' ' ' GLY . 14.8 p -61.18 -39.94 84.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.72 0.295 . . . . 0.0 110.308 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -58.27 -48.97 80.34 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.67 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -70.51 -36.0 73.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.012 0.434 . . . . 0.0 110.476 179.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.453 ' CD2' ' HD1' ' A' ' 16' ' ' PHE . 11.5 tp -74.31 -66.42 0.73 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.485 ' HA ' ' CE ' ' A' ' 19' ' ' LYS . 4.3 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.957 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.67 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.569 0.223 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.609 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -100.43 -31.78 11.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.465 179.333 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.756 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 96.7 m-85 -105.56 -178.04 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.893 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.756 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 13.8 p . . . . . 0 C--N 1.322 -0.621 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.676 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.724 ' O ' HG23 ' A' ' 12' ' ' VAL . 11.2 tp . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.662 0.268 . . . . 0.0 110.73 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.518 ' N ' HG23 ' A' ' 8' ' ' ILE . . . -95.02 -41.46 4.04 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.866 HD13 ' C ' ' A' ' 10' ' ' LEU . 3.0 tm? -62.59 -44.48 96.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.779 0.323 . . . . 0.0 110.716 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.53 ' O ' ' HG ' ' A' ' 15' ' ' LEU . . . -65.97 -37.4 93.17 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 8' ' ' ILE . 42.9 t -60.86 -46.37 96.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.93 -38.51 94.28 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.94 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.97 -39.39 76.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.088 0.47 . . . . 0.0 110.564 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 65.0 mt -93.45 -61.17 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.542 -178.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.603 ' N ' ' O ' ' A' ' 12' ' ' VAL . 75.5 t80 . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.323 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.94 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.464 0.232 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 3.0 mmtp -99.1 -34.92 10.19 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.737 0.779 . . . . 0.0 108.994 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.66 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 3.5 m-85 -106.66 175.63 5.44 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.169 -1.378 . . . . 0.0 108.895 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.66 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 3.6 p . . . . . 0 C--N 1.315 -0.907 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.484 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.502 HG23 ' N ' ' A' ' 9' ' ' GLY . 20.6 tt . . . . . 0 CA--C 1.527 0.078 0 CA-C-O 120.638 0.256 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.502 ' N ' HG23 ' A' ' 8' ' ' ILE . . . -89.81 -46.54 4.21 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.81 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -63.69 -41.76 98.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.662 0.267 . . . . 0.0 110.68 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.557 ' O ' ' HG ' ' A' ' 15' ' ' LEU . . . -64.02 -42.19 98.29 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.619 ' O ' ' N ' ' A' ' 16' ' ' PHE . 2.3 t -60.57 -46.31 95.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.727 -0.389 . . . . 0.0 109.952 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.94 -39.2 96.32 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 1.046 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.75 -39.43 76.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.193 0.521 . . . . 0.0 110.489 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 60.2 mt -91.65 -62.42 1.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.26 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.619 ' N ' ' O ' ' A' ' 12' ' ' VAL . 84.4 t80 . . . . . 0 N--CA 1.448 -0.539 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.236 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.046 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 CA--C 1.532 0.272 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.629 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -102.59 -34.45 9.09 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.675 0.75 . . . . 0.0 110.207 -179.732 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.718 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 96.5 m-85 -102.52 178.71 4.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.44 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.718 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.3 p . . . . . 0 C--N 1.318 -0.778 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.82 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.855 ' O ' HG23 ' A' ' 12' ' ' VAL . 93.8 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.642 0.258 . . . . 0.0 110.711 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.69 -50.0 5.16 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.827 HD12 ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -64.54 -41.65 96.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.748 0.309 . . . . 0.0 110.966 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.546 ' O ' ' HG ' ' A' ' 15' ' ' LEU . . . -63.16 -35.57 92.26 Favored Glycine 0 C--O 1.228 -0.257 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 8' ' ' ILE . 25.4 t -60.6 -46.69 95.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.29 -38.49 95.12 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.967 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.68 -39.1 77.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.14 0.495 . . . . 0.0 110.56 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 6.4 mt -89.06 -60.7 1.88 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.303 -179.278 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.59 ' HA ' ' HZ2' ' A' ' 19' ' ' LYS . 85.1 t80 . . . . . 0 C--N 1.323 -0.543 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.093 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.967 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 CA--C 1.533 0.304 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.625 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -102.54 -34.97 8.91 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.514 0.673 . . . . 0.0 109.613 179.799 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.657 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 94.4 m-85 -99.39 175.83 5.72 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.834 -1.076 . . . . 0.0 108.565 178.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.657 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 3.2 p . . . . . 0 C--N 1.316 -0.867 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.499 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.0 mt . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.707 0.289 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.91 -98.91 0.44 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.371 -0.691 . . . . 0.0 111.371 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.133 HD13 ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -60.29 -26.84 66.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.747 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 1.133 ' N ' HD13 ' A' ' 10' ' ' LEU . . . -45.99 -26.34 2.04 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 -179.191 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.61 ' O ' ' N ' ' A' ' 16' ' ' PHE . 7.6 p -60.64 -38.63 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.469 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -62.7 -41.48 99.82 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.15 -39.0 79.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.18 0.514 . . . . 0.0 110.135 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.738 HD23 ' H ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -89.33 -70.67 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.753 -179.872 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.738 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.392 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.36 0.124 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.588 ' CD ' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -107.09 -40.71 5.36 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.2 -0.6 . . . . 0.0 112.062 179.482 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.568 ' O ' ' O ' ' A' ' 16' ' ' PHE . 28.3 m-85 -130.2 121.65 26.63 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.072 -179.288 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.52 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 8' ' ' ILE . 31.2 mm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.625 0.25 . . . . 0.0 111.366 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.23 -56.36 2.57 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.703 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 11' ' ' GLY . 3.9 pp -63.47 -33.64 76.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.736 0.303 . . . . 0.0 111.11 -179.424 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.6 ' N ' HD12 ' A' ' 10' ' ' LEU . . . -57.27 -43.1 93.74 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 121.067 -0.587 . . . . 0.0 111.775 -179.125 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.61 ' O ' ' N ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -63.95 -40.31 88.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.889 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.45 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -64.67 -37.67 94.67 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 1.027 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.65 -38.8 77.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.152 0.501 . . . . 0.0 110.417 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.547 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 40.9 mt -91.27 -61.12 1.72 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.242 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.61 ' N ' ' O ' ' A' ' 12' ' ' VAL . 76.5 t80 . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.46 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.027 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.595 ' HG2' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -103.24 -35.29 8.5 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.562 0.696 . . . . 0.0 109.506 179.648 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.679 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 93.3 m-85 -98.3 175.87 5.91 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.732 178.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.679 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 5.2 p . . . . . 0 C--N 1.317 -0.824 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.014 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.6 mt . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 120.69 0.281 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.43 -100.12 0.32 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.107 HD13 ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -61.29 -27.29 68.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.916 0.388 . . . . 0.0 110.604 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 1.107 ' N ' HD13 ' A' ' 10' ' ' LEU . . . -43.64 -24.47 0.44 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 16' ' ' PHE . 7.8 p -63.0 -39.17 84.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.056 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -62.96 -49.37 72.82 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.811 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.22 -41.69 76.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.201 0.524 . . . . 0.0 110.158 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.545 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER -72.69 -61.34 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.756 -179.148 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.643 ' CZ ' ' CB ' ' A' ' 20' ' ' PHE . 19.8 t80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.425 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.811 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.465 0.281 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.61 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -101.89 -34.07 9.53 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.737 0.78 . . . . 0.0 109.587 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.7 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 97.5 m-85 -101.73 177.41 4.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.23 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.7 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.2 p . . . . . 0 C--N 1.318 -0.798 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.814 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 CA--C 1.528 0.126 0 CA-C-O 120.755 0.312 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.482 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -81.05 -57.21 2.87 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.793 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -64.14 -32.75 74.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.855 0.36 . . . . 0.0 110.781 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.548 ' O ' ' HG ' ' A' ' 15' ' ' LEU . . . -57.35 -46.65 91.58 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.636 ' O ' ' N ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -64.39 -42.25 94.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.225 179.753 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.502 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -65.1 -39.67 96.43 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.902 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.77 -37.05 76.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.018 0.437 . . . . 0.0 110.646 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 52.3 mt -95.18 -62.11 1.36 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.034 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.636 ' N ' ' O ' ' A' ' 12' ' ' VAL . 85.9 t80 . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.207 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.902 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.464 0.273 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.611 ' HG3' ' CD1' ' A' ' 20' ' ' PHE . 2.0 ptpt -102.05 -17.67 15.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.469 0.652 . . . . 0.0 110.222 -178.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.702 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 14.2 m-85 -127.38 178.92 5.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.768 -1.106 . . . . 0.0 109.366 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.702 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.8 p . . . . . 0 C--N 1.32 -0.707 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.924 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.401 ' HA ' HD13 ' A' ' 8' ' ' ILE . 31.9 mm . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.812 0.339 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.5 -106.67 0.09 OUTLIER Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.845 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -60.55 -29.68 69.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.786 0.326 . . . . 0.0 110.187 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.427 ' N ' ' HG ' ' A' ' 10' ' ' LEU . . . -38.64 -20.14 0.01 OUTLIER Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.61 ' N ' ' O ' ' A' ' 10' ' ' LEU . 13.5 p -60.02 -38.01 74.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.579 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -57.18 -45.29 92.75 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.579 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.86 -36.06 75.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.95 0.405 . . . . 0.0 110.253 179.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.0 tp -74.21 -66.15 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.202 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.62 ' CD2' ' HE3' ' A' ' 19' ' ' LYS . 5.6 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.091 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.52 0.2 . . . . 0.0 111.486 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.62 ' HE3' ' CD2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -101.01 -23.79 14.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.203 0.525 . . . . 0.0 110.129 -179.532 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.738 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 14.4 m-30 -116.65 -178.55 3.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.681 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.738 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 14.0 p . . . . . 0 C--N 1.321 -0.661 0 CA-C-O 117.919 -1.038 . . . . 0.0 110.929 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.453 HD13 ' HA ' ' A' ' 8' ' ' ILE . 31.4 mm . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.753 0.311 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.57 -93.76 0.43 Allowed Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.953 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -61.88 -41.32 97.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.769 0.318 . . . . 0.0 110.461 179.653 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.726 ' N ' HD13 ' A' ' 10' ' ' LEU . . . -30.81 -28.22 0.01 OUTLIER Glycine 0 CA--C 1.523 0.57 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.386 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.679 HG22 ' HB3' ' A' ' 16' ' ' PHE . 10.3 p -58.39 -45.03 89.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.599 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -65.54 -31.38 79.97 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.81 85.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 111.072 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.834 HD23 ' H ' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -102.96 -47.74 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.494 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.834 ' H ' HD23 ' A' ' 15' ' ' LEU . 11.2 t80 . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.599 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.55 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 111.437 0.162 . . . . 0.0 111.437 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.55 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -106.94 -40.79 5.37 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.309 -0.557 . . . . 0.0 111.93 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.601 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 24.2 m-85 -129.92 123.21 30.16 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.654 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.547 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.483 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 8' ' ' ILE . 32.3 mm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.888 0.375 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.69 -102.08 0.12 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.852 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -61.47 -33.07 73.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.743 0.306 . . . . 0.0 110.394 -179.848 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.477 ' N ' ' HG ' ' A' ' 10' ' ' LEU . . . -36.79 -22.54 0.01 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.612 ' N ' ' O ' ' A' ' 10' ' ' LEU . 14.5 p -61.27 -40.43 86.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.497 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -57.41 -44.94 93.42 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.87 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.92 -36.49 75.39 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.432 -0.452 . . . . 0.0 110.515 179.266 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.52 ' O ' ' HD3' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -84.86 -69.06 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.793 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.61 ' HB3' HG22 ' A' ' 12' ' ' VAL . 41.3 t80 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.99 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.87 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.461 0.118 0 CA-C-O 120.779 0.323 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.574 ' CG ' ' CD1' ' A' ' 20' ' ' PHE . 0.5 OUTLIER -101.45 -33.31 10.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.195 0.521 . . . . 0.0 110.405 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.738 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 97.1 m-85 -103.64 -177.99 3.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.857 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.738 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 13.7 p . . . . . 0 C--N 1.321 -0.642 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.837 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 8' ' ' ILE . 30.9 mm . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 120.624 0.25 . . . . 0.0 111.651 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.06 -100.06 0.29 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.121 HD13 ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -60.54 -26.67 67.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.886 0.374 . . . . 0.0 110.667 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 1.121 ' N ' HD13 ' A' ' 10' ' ' LEU . . . -45.56 -24.62 1.16 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.644 HG23 ' CD1' ' A' ' 16' ' ' PHE . 8.9 p -62.18 -40.99 89.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.566 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -64.59 -49.06 66.62 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.462 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -69.65 -40.74 76.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.15 0.5 . . . . 0.0 110.263 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.558 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -69.67 -67.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.473 -179.503 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.644 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.009 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -101.82 -16.68 16.51 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.634 0.73 . . . . 0.0 109.825 -179.358 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.692 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 2.0 m-85 -126.93 177.23 6.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.456 -1.247 . . . . 0.0 108.998 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.692 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 8.9 p . . . . . 0 C--N 1.315 -0.921 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.903 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.675 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.675 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 2' ' ' DBU . 31.1 Cg_endo -64.67 -27.44 60.69 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.773 2.315 . . . . 0.0 112.253 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 1' ' ' ABA . . . -71.15 -19.47 62.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.955 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 1' ' ' ABA . 4.5 m -103.92 30.57 5.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.347 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.658 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -58.69 -48.59 80.59 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.302 -179.679 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' DBU . . . . . 0.529 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 93.3 mt -63.96 -44.1 97.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.065 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.904 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -101.25 -70.75 0.9 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.834 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -62.96 -39.79 95.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.04 0.448 . . . . 0.0 110.605 179.565 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.621 ' CA ' ' O ' ' A' ' 6' ' ' PHE . . . -33.8 -37.82 0.08 OUTLIER Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.904 HG12 ' O ' ' A' ' 9' ' ' GLY . 13.2 p -61.25 -42.56 93.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.599 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -65.17 -46.05 89.24 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.759 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -68.12 -40.04 82.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.978 0.418 . . . . 0.0 110.143 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.785 HD23 ' N ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -86.49 -68.05 0.77 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.806 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.785 ' N ' HD23 ' A' ' 15' ' ' LEU . 49.7 t80 -73.98 -30.45 62.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.155 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' DAL . . . . . 0.634 ' HB3' ' O ' ' A' ' 16' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.759 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -67.66 -41.17 84.21 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -178.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -104.14 -35.21 8.12 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.721 0.772 . . . . 0.0 109.861 179.847 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.707 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 97.7 m-85 -98.82 179.25 4.71 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.471 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.707 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 12.0 p . . . . . 0 C--N 1.321 -0.657 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.683 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -64.36 -25.67 63.78 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.797 2.331 . . . . 0.0 112.443 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.36 -28.14 22.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.852 0.358 . . . . 0.0 110.535 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.0 m -74.95 -30.85 61.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.573 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.644 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -57.57 -49.08 77.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.705 -179.661 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' DBU . . . . . 0.527 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 94.1 mt -64.69 -43.98 96.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.403 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.7 -101.37 0.15 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.854 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -62.75 -33.38 75.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.958 0.409 . . . . 0.0 110.004 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.604 ' HA3' ' O ' ' A' ' 6' ' ' PHE . . . -35.57 -24.67 0.01 OUTLIER Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.599 ' N ' ' O ' ' A' ' 10' ' ' LEU . 7.4 p -61.77 -40.53 87.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.795 0.331 . . . . 0.0 110.384 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.62 ' O ' ' CA ' ' A' ' 17' ' ' DAL . . . -55.85 -43.56 87.27 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.68 -37.87 76.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.36 0.6 . . . . 0.0 109.703 178.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.64 ' HB2' ' CE1' ' A' ' 6' ' ' PHE . 41.7 tp -72.84 -69.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.175 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.521 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 6.4 m-85 -94.1 -28.31 15.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.428 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' DAL . . . . . 0.62 ' CA ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . -66.48 -40.77 89.51 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -178.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.597 ' HG2' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -101.07 -29.71 12.0 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.54 0.686 . . . . 0.0 109.47 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.679 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 92.4 m-85 -108.51 175.52 5.44 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.685 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.679 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 4.7 p . . . . . 0 C--N 1.317 -0.832 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.472 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.605 ' C ' ' HB2' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.436 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.436 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 43.0 Cg_exo -54.41 -36.57 88.0 Favored 'Trans proline' 0 C--N 1.303 -1.84 0 C-N-CA 122.841 2.36 . . . . 0.0 112.149 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.78 -29.41 65.61 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.538 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.605 ' HB2' ' C ' ' A' ' 1' ' ' ABA . 2.5 m -81.07 -29.56 34.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.563 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.645 ' O ' ' CA ' ' A' ' 11' ' ' GLY . 0.7 OUTLIER -57.47 -49.6 75.74 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.784 -179.564 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' DBU . . . . . 0.555 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.68 -43.9 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.503 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.975 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -102.1 -69.27 0.83 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.85 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -62.91 -33.38 75.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.967 0.413 . . . . 0.0 110.479 179.69 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.645 ' CA ' ' O ' ' A' ' 6' ' ' PHE . . . -42.27 -32.48 1.14 Allowed Glycine 0 CA--C 1.52 0.404 0 N-CA-C 111.399 -0.681 . . . . 0.0 111.399 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.975 HG12 ' O ' ' A' ' 9' ' ' GLY . 7.2 p -61.35 -38.44 79.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.6 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -67.08 -46.87 68.51 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.532 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -68.32 -38.79 81.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.341 0.591 . . . . 0.0 109.971 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.576 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -85.7 -69.69 0.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.925 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.611 ' N ' ' O ' ' A' ' 12' ' ' VAL . 28.7 t80 -75.18 -29.72 60.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.49 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' DAL . . . . . 0.6 ' HA ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.574 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . -68.45 -42.0 79.44 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.576 ' NZ ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -103.35 -35.23 8.47 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.792 0.806 . . . . 0.0 109.413 179.664 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.699 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 92.3 m-85 -98.43 177.64 5.28 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.275 -1.33 . . . . 0.0 109.457 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.699 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.3 p . . . . . 0 C--N 1.321 -0.653 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.987 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -67.2 -20.04 50.0 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 C-N-CA 122.82 2.347 . . . . 0.0 112.408 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.417 ' O ' ' HG3' ' A' ' 7' ' ' DBU . . . -84.53 -28.15 26.87 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.723 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.512 ' O ' HD12 ' A' ' 10' ' ' LEU . 2.4 m -74.75 -34.78 62.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.614 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.651 ' CD1' ' HA3' ' A' ' 11' ' ' GLY . 8.7 t80 -58.9 -46.84 86.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.701 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' DBU . . . . . 0.567 ' O ' ' O ' ' A' ' 6' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.575 HG13 ' N ' ' A' ' 9' ' ' GLY . 24.1 pt -68.44 -43.34 84.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.782 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.629 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -99.23 -39.24 3.55 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.888 HD13 ' C ' ' A' ' 10' ' ' LEU . 2.6 tm? -61.62 -42.71 99.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 0.0 110.8 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.651 ' HA3' ' CD1' ' A' ' 6' ' ' PHE . . . -60.85 -41.49 99.23 Favored Glycine 0 CA--C 1.519 0.333 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.629 HG12 ' O ' ' A' ' 9' ' ' GLY . 0.3 OUTLIER -62.9 -40.05 87.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.419 -0.512 . . . . 0.0 109.933 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.581 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -64.12 -40.59 98.22 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.862 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.5 -40.38 77.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.263 0.554 . . . . 0.0 110.429 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.562 ' O ' ' CE ' ' A' ' 19' ' ' LYS . 2.3 mt -85.22 -61.21 1.82 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.036 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.608 ' O ' ' HB3' ' A' ' 17' ' ' DAL . 79.5 t80 -74.71 -32.7 62.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.301 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' DAL . . . . . 0.608 ' HB3' ' O ' ' A' ' 16' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.862 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -67.08 -42.18 85.09 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.562 ' CE ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -102.86 -35.09 8.74 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.573 0.702 . . . . 0.0 109.536 179.497 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.684 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 94.4 m-85 -98.53 176.93 5.49 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.091 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.684 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 7.2 p . . . . . 0 C--N 1.318 -0.767 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.691 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.603 ' HB3' ' N ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 2' ' ' DBU . 30.1 Cg_endo -64.06 -31.16 65.96 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.753 2.302 . . . . 0.0 112.204 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.82 -29.02 65.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.558 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.662 ' O ' HD21 ' A' ' 10' ' ' LEU . 1.3 m -70.3 -27.5 64.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.43 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.619 ' O ' ' CA ' ' A' ' 11' ' ' GLY . 25.6 t80 -56.97 -48.37 78.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.735 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' DBU . . . . . 0.606 ' HG2' ' CD2' ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 8' ' ' ILE . 31.5 mm -64.13 -43.88 97.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.189 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.496 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -88.48 -49.48 3.66 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.816 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -64.4 -35.02 79.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 110.711 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.619 ' CA ' ' O ' ' A' ' 6' ' ' PHE . . . -57.99 -46.38 92.62 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 -179.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.601 ' O ' ' N ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -64.67 -39.24 84.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.153 0.502 . . . . 0.0 109.991 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.596 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -64.23 -40.31 97.85 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.034 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.62 -38.11 77.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.02 0.438 . . . . 0.0 110.558 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 5.8 mt -89.14 -61.12 1.77 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.892 -179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.657 ' O ' ' HB3' ' A' ' 17' ' ' DAL . 64.8 t80 -74.68 -32.44 62.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.662 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' DAL . . . . . 0.657 ' HB3' ' O ' ' A' ' 16' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.034 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -66.32 -40.63 90.04 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.517 -178.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.62 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -103.66 -34.59 8.56 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.608 0.718 . . . . 0.0 110.164 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.701 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 89.8 m-85 -101.63 179.37 4.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.112 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.701 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.7 p . . . . . 0 C--N 1.319 -0.719 0 CA-C-O 117.898 -1.048 . . . . 0.0 110.725 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.477 ' C ' ' HB2' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.52 -22.06 52.08 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.794 2.33 . . . . 0.0 112.313 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.34 -27.95 25.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.657 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.477 ' HB2' ' C ' ' A' ' 1' ' ' ABA . 3.3 m -78.96 -26.14 43.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.405 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.668 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -57.48 -49.45 76.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.68 -179.389 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' DBU . . . . . 0.561 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.4 mm -65.65 -44.06 93.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.141 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.53 -104.04 0.05 OUTLIER Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.851 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -64.03 -31.75 73.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.971 0.415 . . . . 0.0 110.058 179.792 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.63 ' HA3' ' O ' ' A' ' 6' ' ' PHE . . . -36.75 -23.25 0.01 OUTLIER Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.591 ' N ' ' O ' ' A' ' 10' ' ' LEU . 1.6 p -63.03 -38.21 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.014 0.435 . . . . 0.0 110.118 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.639 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -53.95 -53.59 36.0 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.47 -42.2 87.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.095 0.474 . . . . 0.0 110.343 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.643 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 24.1 tp -65.06 -63.79 1.02 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.203 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.539 ' CD2' ' CD1' ' A' ' 20' ' ' PHE . 1.3 m-85 -75.13 -26.89 59.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.821 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' DAL . . . . . 0.639 ' HA ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.75 -39.29 80.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.272 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.612 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -101.47 -16.71 16.74 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.579 0.704 . . . . 0.0 109.93 -179.526 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.701 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 95.1 m-85 -127.06 177.53 6.59 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.605 -1.179 . . . . 0.0 109.436 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.701 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 7.5 p . . . . . 0 C--N 1.316 -0.856 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.905 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.586 ' HB3' ' N ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.506 ' N ' ' HB2' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 45.6 Cg_exo -54.05 -36.18 83.83 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.939 2.426 . . . . 0.0 112.384 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.74 -27.58 26.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 0.0 110.469 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.586 ' N ' ' HB3' ' A' ' 1' ' ' ABA . 2.3 m -75.16 -30.16 60.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.612 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.608 ' O ' ' O ' ' A' ' 7' ' ' DBU . 9.7 t80 -57.72 -48.99 78.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.006 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' DBU . . . . . 0.608 ' O ' ' O ' ' A' ' 6' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.831 ' O ' HG23 ' A' ' 12' ' ' VAL . 94.0 mt -64.06 -43.92 97.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.866 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.91 -42.38 4.73 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.88 HD13 ' C ' ' A' ' 10' ' ' LEU . 2.8 tm? -62.5 -44.74 95.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 0.0 110.751 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.607 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -65.43 -36.06 92.14 Favored Glycine 0 CA--C 1.518 0.257 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 8' ' ' ILE . 42.6 t -61.16 -46.5 96.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.527 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -65.88 -39.34 94.97 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.989 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.71 -38.88 77.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.204 0.526 . . . . 0.0 110.568 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.607 HD12 ' HE1' ' A' ' 6' ' ' PHE . 63.2 mt -92.98 -63.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.165 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.638 ' O ' ' HB3' ' A' ' 17' ' ' DAL . 82.0 t80 -74.28 -30.64 62.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.473 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' DAL . . . . . 0.638 ' HB3' ' O ' ' A' ' 16' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.989 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -66.81 -41.96 86.69 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -178.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.542 ' CE ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -102.72 -35.2 8.76 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.534 0.683 . . . . 0.0 109.528 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.666 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 98.8 m-85 -99.45 175.72 5.75 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.701 -1.136 . . . . 0.0 108.687 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 2.9 p . . . . . 0 C--N 1.316 -0.875 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.471 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.594 ' HB3' ' N ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -65.08 -25.71 58.44 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.794 2.329 . . . . 0.0 112.469 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.73 -27.52 22.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.853 0.359 . . . . 0.0 110.687 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.594 ' N ' ' HB3' ' A' ' 1' ' ' ABA . 1.5 m -65.99 -27.21 67.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.805 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.628 ' CD2' ' HA3' ' A' ' 11' ' ' GLY . 1.1 t80 -57.43 -48.71 78.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.588 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' DBU . . . . . 0.601 ' O ' ' O ' ' A' ' 6' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.695 ' O ' HG23 ' A' ' 12' ' ' VAL . 16.6 tt -68.32 -41.74 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.802 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.495 ' N ' HG23 ' A' ' 8' ' ' ILE . . . -95.25 -41.87 3.87 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.866 HD13 ' C ' ' A' ' 10' ' ' LEU . 3.1 tm? -62.44 -44.73 95.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 110.687 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.628 ' HA3' ' CD2' ' A' ' 6' ' ' PHE . . . -65.87 -37.64 93.52 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 8' ' ' ILE . 38.7 t -60.97 -46.1 97.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.526 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -65.69 -39.96 95.59 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.008 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.94 -39.62 75.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.191 0.52 . . . . 0.0 110.58 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.597 HD12 ' CE2' ' A' ' 6' ' ' PHE . 66.5 mt -92.66 -63.27 1.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.263 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.636 ' O ' ' HB3' ' A' ' 17' ' ' DAL . 82.8 t80 -74.3 -30.74 62.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.415 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' DAL . . . . . 0.636 ' HB3' ' O ' ' A' ' 16' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.008 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -66.28 -41.98 89.08 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -178.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.548 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -102.95 -35.26 8.64 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.601 0.715 . . . . 0.0 109.685 179.832 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.676 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 94.2 m-85 -99.39 176.44 5.51 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.571 -1.195 . . . . 0.0 108.797 179.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.676 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 3.9 p . . . . . 0 C--N 1.316 -0.884 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.606 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.605 ' C ' ' HB2' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.515 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.515 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 45.3 Cg_exo -54.42 -36.23 87.12 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.754 2.303 . . . . 0.0 112.138 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.24 -28.31 65.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.668 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.605 ' HB2' ' C ' ' A' ' 1' ' ' ABA . 3.0 m -84.45 -16.12 43.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.605 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.678 ' CZ ' HD22 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -57.91 -49.82 75.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.669 -179.553 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' DBU . . . . . 0.548 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.419 HD13 ' HA ' ' A' ' 8' ' ' ILE . 32.2 mm -66.51 -43.89 90.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.604 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -92.25 -88.01 1.5 Allowed Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.819 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -59.4 -32.65 70.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.834 0.35 . . . . 0.0 110.392 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.639 ' CA ' ' O ' ' A' ' 6' ' ' PHE . . . -37.54 -32.34 0.09 OUTLIER Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.604 HG12 ' O ' ' A' ' 9' ' ' GLY . 14.8 p -61.18 -39.94 84.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.72 0.295 . . . . 0.0 110.308 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.653 ' O ' ' CA ' ' A' ' 17' ' ' DAL . . . -58.27 -48.97 80.34 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.67 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -70.51 -36.0 73.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.012 0.434 . . . . 0.0 110.476 179.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.678 HD22 ' CZ ' ' A' ' 6' ' ' PHE . 11.5 tp -74.31 -66.42 0.73 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.485 ' HA ' ' CE ' ' A' ' 19' ' ' LYS . 4.3 m-85 -95.68 -30.72 13.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.957 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' DAL . . . . . 0.653 ' CA ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.67 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -68.75 -41.98 78.14 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.014 -178.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.609 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -100.43 -31.78 11.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.465 179.333 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.756 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 96.7 m-85 -105.56 -178.04 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.893 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.756 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 13.8 p . . . . . 0 C--N 1.322 -0.621 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.676 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.608 ' HB3' ' N ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.501 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 44.7 Cg_exo -54.35 -35.99 85.8 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.888 2.392 . . . . 0.0 112.485 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.455 ' O ' ' HG3' ' A' ' 7' ' ' DBU . . . -84.58 -27.23 27.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.846 0.355 . . . . 0.0 110.637 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.608 ' N ' ' HB3' ' A' ' 1' ' ' ABA . 1.3 m -65.8 -31.19 72.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.762 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.624 ' CD2' ' HA3' ' A' ' 11' ' ' GLY . 1.0 OUTLIER -57.62 -48.91 78.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.547 -179.431 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' DBU . . . . . 0.605 ' O ' ' O ' ' A' ' 6' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.724 ' O ' HG23 ' A' ' 12' ' ' VAL . 11.2 tp -68.18 -41.96 84.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.73 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.518 ' N ' HG23 ' A' ' 8' ' ' ILE . . . -95.02 -41.46 4.04 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.866 HD13 ' C ' ' A' ' 10' ' ' LEU . 3.0 tm? -62.59 -44.48 96.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.779 0.323 . . . . 0.0 110.716 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.624 ' HA3' ' CD2' ' A' ' 6' ' ' PHE . . . -65.97 -37.4 93.17 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 8' ' ' ILE . 42.9 t -60.86 -46.37 96.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.531 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -65.93 -38.51 94.28 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.94 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.97 -39.39 76.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.088 0.47 . . . . 0.0 110.564 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 65.0 mt -93.45 -61.17 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.542 -178.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.603 ' N ' ' O ' ' A' ' 12' ' ' VAL . 75.5 t80 -73.98 -31.71 63.11 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.323 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' DAL . . . . . 0.589 ' HB3' ' O ' ' A' ' 16' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.94 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -68.73 -38.29 80.08 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.554 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 3.0 mmtp -99.1 -34.92 10.19 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.737 0.779 . . . . 0.0 108.994 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.672 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 3.5 m-85 -106.66 175.63 5.44 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.169 -1.378 . . . . 0.0 108.895 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.672 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 3.6 p . . . . . 0 C--N 1.315 -0.907 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.484 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.596 ' HB3' ' N ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -65.45 -26.02 55.43 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.722 2.281 . . . . 0.0 112.151 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.2 -27.67 21.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.658 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.848 ' O ' HD21 ' A' ' 10' ' ' LEU . 1.6 m -66.22 -30.63 71.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.478 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.636 ' O ' ' O ' ' A' ' 7' ' ' DBU . 12.8 t80 -57.9 -49.06 78.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.843 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' DBU . . . . . 0.711 ' HG2' HD23 ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.502 HG23 ' N ' ' A' ' 9' ' ' GLY . 20.6 tt -68.38 -41.6 83.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.015 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.502 ' N ' HG23 ' A' ' 8' ' ' ILE . . . -89.81 -46.54 4.21 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.848 HD21 ' O ' ' A' ' 5' ' ' CYS . 0.4 OUTLIER -63.69 -41.76 98.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.662 0.267 . . . . 0.0 110.68 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.612 ' CA ' ' O ' ' A' ' 6' ' ' PHE . . . -64.02 -42.19 98.29 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.619 ' O ' ' N ' ' A' ' 16' ' ' PHE . 2.3 t -60.57 -46.31 95.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.727 -0.389 . . . . 0.0 109.952 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.56 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -64.94 -39.2 96.32 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.046 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.75 -39.43 76.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.193 0.521 . . . . 0.0 110.489 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 60.2 mt -91.65 -62.42 1.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.26 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.626 ' O ' ' HB3' ' A' ' 17' ' ' DAL . 84.4 t80 -74.55 -32.67 62.52 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.236 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' DAL . . . . . 0.626 ' HB3' ' O ' ' A' ' 16' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.046 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -66.68 -41.09 88.66 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.704 -178.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.629 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -102.59 -34.45 9.09 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.675 0.75 . . . . 0.0 110.207 -179.732 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.718 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 96.5 m-85 -102.52 178.71 4.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.44 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.718 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.3 p . . . . . 0 C--N 1.318 -0.778 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.82 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.546 ' O ' ' HG3' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.641 ' HB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.641 ' HD3' ' HB ' ' A' ' 2' ' ' DBU . 32.4 Cg_endo -65.53 -25.02 55.56 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.827 2.352 . . . . 0.0 112.421 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 6' ' ' PHE . . . -107.49 18.51 21.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.006 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.782 ' O ' HD21 ' A' ' 10' ' ' LEU . 33.2 m -34.55 -32.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.621 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.629 ' O ' ' O ' ' A' ' 7' ' ' DBU . 2.4 t80 -59.93 -49.76 76.42 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.642 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' DBU . . . . . 0.647 ' HG2' HD23 ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.855 ' O ' HG23 ' A' ' 12' ' ' VAL . 93.8 mt -63.26 -44.35 99.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 O-C-N 122.05 -0.406 . . . . 0.0 110.711 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.69 -50.0 5.16 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.827 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -64.54 -41.65 96.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.748 0.309 . . . . 0.0 110.966 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.623 ' CA ' ' O ' ' A' ' 6' ' ' PHE . . . -63.16 -35.57 92.26 Favored Glycine 0 C--O 1.228 -0.257 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 8' ' ' ILE . 25.4 t -60.6 -46.69 95.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.554 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -65.29 -38.49 95.12 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.967 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.68 -39.1 77.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.14 0.495 . . . . 0.0 110.56 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 6.4 mt -89.06 -60.7 1.88 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.303 -179.278 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.651 ' O ' ' HB3' ' A' ' 17' ' ' DAL . 85.1 t80 -74.85 -31.54 61.66 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.093 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' DAL . . . . . 0.651 ' HB3' ' O ' ' A' ' 16' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.967 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -67.14 -41.83 85.45 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -178.214 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.625 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -102.54 -34.97 8.91 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.514 0.673 . . . . 0.0 109.613 179.799 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.657 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 94.4 m-85 -99.39 175.83 5.72 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.834 -1.076 . . . . 0.0 108.565 178.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.657 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 3.2 p . . . . . 0 C--N 1.316 -0.867 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.499 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.637 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.637 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 43.4 Cg_exo -54.22 -36.85 87.29 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.715 2.276 . . . . 0.0 112.241 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 1' ' ' ABA . . . -70.93 -28.79 64.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.435 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.622 ' N ' ' HB3' ' A' ' 1' ' ' ABA . 1.4 m -74.06 -36.64 64.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.748 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.666 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -58.23 -49.43 77.13 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.595 -179.73 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' DBU . . . . . 0.556 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.16 -43.83 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.427 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.91 -98.91 0.44 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.371 -0.691 . . . . 0.0 111.371 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.133 HD13 ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -60.29 -26.84 66.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.747 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 1.133 ' N ' HD13 ' A' ' 10' ' ' LEU . . . -45.99 -26.34 2.04 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 -179.191 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.61 ' O ' ' N ' ' A' ' 16' ' ' PHE . 7.6 p -60.64 -38.63 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.602 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -62.7 -41.48 99.82 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.15 -39.0 79.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.18 0.514 . . . . 0.0 110.135 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.738 HD23 ' H ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -89.33 -70.67 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.753 -179.872 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.738 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -74.26 -28.45 61.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.392 -179.07 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' DAL . . . . . 0.924 ' HB3' ' O ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.71 -45.04 72.6 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.969 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.588 ' CD ' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -107.09 -40.71 5.36 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.2 -0.6 . . . . 0.0 112.062 179.482 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.924 ' O ' ' HB3' ' A' ' 17' ' ' DAL . 28.3 m-85 -130.2 121.65 26.63 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.072 -179.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.52 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.521 ' O ' ' HG3' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.627 ' HB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.627 ' HD3' ' HB ' ' A' ' 2' ' ' DBU . 34.0 Cg_endo -65.51 -24.75 56.03 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.748 2.298 . . . . 0.0 112.446 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.545 ' O ' ' N ' ' A' ' 7' ' ' DBU . . . -107.51 18.88 20.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.98 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.544 ' SG ' ' N ' ' A' ' 2' ' ' DBU . 31.1 m -33.98 -36.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.527 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.64 ' O ' ' CA ' ' A' ' 11' ' ' GLY . 0.9 OUTLIER -60.31 -48.89 79.82 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.045 179.745 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' DBU . . . . . 0.97 ' HG2' HD21 ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 8' ' ' ILE . 31.2 mm -64.54 -43.93 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.366 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.23 -56.36 2.57 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.703 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.97 HD21 ' HG2' ' A' ' 7' ' ' DBU . 3.9 pp -63.47 -33.64 76.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.736 0.303 . . . . 0.0 111.11 -179.424 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.64 ' CA ' ' O ' ' A' ' 6' ' ' PHE . . . -57.27 -43.1 93.74 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 121.067 -0.587 . . . . 0.0 111.775 -179.125 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.61 ' O ' ' N ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -63.95 -40.31 88.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.889 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.566 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -64.67 -37.67 94.67 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.027 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.65 -38.8 77.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.152 0.501 . . . . 0.0 110.417 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.547 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 40.9 mt -91.27 -61.12 1.72 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.242 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.634 ' O ' ' HB3' ' A' ' 17' ' ' DAL . 76.5 t80 -74.07 -31.5 62.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.46 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' DAL . . . . . 0.634 ' HB3' ' O ' ' A' ' 16' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.027 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -66.46 -42.11 88.07 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.274 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.595 ' HG2' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -103.24 -35.29 8.5 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.562 0.696 . . . . 0.0 109.506 179.648 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.68 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 93.3 m-85 -98.3 175.87 5.91 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.732 178.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.68 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 5.2 p . . . . . 0 C--N 1.317 -0.824 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.014 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.585 ' HB3' ' N ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -65.07 -26.21 58.14 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.74 2.293 . . . . 0.0 112.211 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.87 -28.01 21.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.589 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.585 ' N ' ' HB3' ' A' ' 1' ' ' ABA . 1.6 m -68.22 -36.58 79.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.531 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.725 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -57.63 -50.14 74.13 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.276 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' DBU . . . . . 0.54 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.82 -44.11 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.752 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.43 -100.12 0.32 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.107 HD13 ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -61.29 -27.29 68.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.916 0.388 . . . . 0.0 110.604 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 1.107 ' N ' HD13 ' A' ' 10' ' ' LEU . . . -43.64 -24.47 0.44 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 16' ' ' PHE . 7.8 p -63.0 -39.17 84.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.056 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.646 ' O ' ' CA ' ' A' ' 17' ' ' DAL . . . -62.96 -49.37 72.82 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.811 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.22 -41.69 76.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.201 0.524 . . . . 0.0 110.158 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.591 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -72.69 -61.34 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.756 -179.148 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.643 ' CZ ' ' CB ' ' A' ' 20' ' ' PHE . 19.8 t80 -95.95 -31.14 13.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.425 -179.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' DAL . . . . . 0.646 ' CA ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.811 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -66.31 -41.55 89.54 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -178.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.61 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -101.89 -34.07 9.53 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.737 0.78 . . . . 0.0 109.587 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.7 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 97.5 m-85 -101.73 177.41 4.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.23 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.7 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.2 p . . . . . 0 C--N 1.318 -0.798 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.814 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.664 ' O ' ' HG3' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.664 ' HG3' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -54.4 -36.43 87.53 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.843 2.362 . . . . 0.0 112.081 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 7' ' ' DBU . . . -86.9 -28.55 22.73 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.492 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.626 ' O ' HD21 ' A' ' 10' ' ' LEU . 1.9 m -73.62 -38.4 65.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.344 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.706 ' HE1' HD12 ' A' ' 15' ' ' LEU . 34.1 t80 -59.77 -48.22 82.57 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.713 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' DBU . . . . . 0.578 ' O ' ' O ' ' A' ' 6' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.98 -44.06 97.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.072 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.482 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -81.05 -57.21 2.87 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.793 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -64.14 -32.75 74.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.855 0.36 . . . . 0.0 110.781 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.631 ' CA ' ' O ' ' A' ' 6' ' ' PHE . . . -57.35 -46.65 91.58 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.636 ' O ' ' N ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -64.39 -42.25 94.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.225 179.753 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.561 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -65.1 -39.67 96.43 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.902 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.77 -37.05 76.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.018 0.437 . . . . 0.0 110.646 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.706 HD12 ' HE1' ' A' ' 6' ' ' PHE . 52.3 mt -95.18 -62.11 1.36 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.034 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.636 ' N ' ' O ' ' A' ' 12' ' ' VAL . 85.9 t80 -74.34 -32.01 62.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.207 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' DAL . . . . . 0.631 ' HB3' ' O ' ' A' ' 16' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.902 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -68.82 -37.93 79.52 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.389 -178.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.611 ' HG3' ' CD1' ' A' ' 20' ' ' PHE . 2.0 ptpt -102.05 -17.67 15.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.469 0.652 . . . . 0.0 110.222 -178.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.702 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 14.2 m-85 -127.38 178.92 5.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.768 -1.106 . . . . 0.0 109.366 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.702 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.8 p . . . . . 0 C--N 1.32 -0.707 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.924 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.842 ' O ' ' HG2' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.842 ' HG2' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.695 ' HD3' ' HB ' ' A' ' 2' ' ' DBU . 56.9 Cg_endo -74.16 -34.31 5.03 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.756 2.304 . . . . 0.0 112.565 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.48 -27.91 65.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.723 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.5 ' SG ' ' N ' ' A' ' 2' ' ' DBU . 0.0 OUTLIER -82.4 -23.0 35.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.484 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.684 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -59.0 -49.83 76.39 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.533 -179.486 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' DBU . . . . . 0.533 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.401 ' HA ' HD13 ' A' ' 8' ' ' ILE . 31.9 mm -65.2 -44.29 95.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.976 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.5 -106.67 0.09 OUTLIER Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.845 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -60.55 -29.68 69.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.786 0.326 . . . . 0.0 110.187 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.621 ' HA3' ' O ' ' A' ' 6' ' ' PHE . . . -38.64 -20.14 0.01 OUTLIER Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.61 ' N ' ' O ' ' A' ' 10' ' ' LEU . 13.5 p -60.02 -38.01 74.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.645 ' O ' ' CA ' ' A' ' 17' ' ' DAL . . . -57.18 -45.29 92.75 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.579 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.86 -36.06 75.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.95 0.405 . . . . 0.0 110.253 179.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.633 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 18.0 tp -74.21 -66.15 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.202 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.62 ' CD2' ' HE3' ' A' ' 19' ' ' LYS . 5.6 m-85 -96.1 -30.27 13.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.091 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' DAL . . . . . 0.645 ' CA ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -68.24 -40.8 81.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.486 -179.089 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.62 ' HE3' ' CD2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -101.01 -23.79 14.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.203 0.525 . . . . 0.0 110.129 -179.532 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.751 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 14.4 m-30 -116.65 -178.55 3.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.681 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.751 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 14.0 p . . . . . 0 C--N 1.321 -0.661 0 CA-C-O 117.919 -1.038 . . . . 0.0 110.929 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.46 ' HB3' ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.629 ' HB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.629 ' HD3' ' HB ' ' A' ' 2' ' ' DBU . 38.3 Cg_endo -67.7 -28.7 36.92 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.829 2.353 . . . . 0.0 112.408 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 7' ' ' DBU . . . -107.36 18.51 21.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.607 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.567 ' SG ' ' N ' ' A' ' 2' ' ' DBU . 12.2 m -29.56 -50.14 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.546 -178.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.92 ' CE1' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -60.46 -49.72 76.45 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.221 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' DBU . . . . . 0.585 ' N ' ' O ' ' A' ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.453 HD13 ' HA ' ' A' ' 8' ' ' ILE . 31.4 mm -64.64 -43.93 96.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.901 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.57 -93.76 0.43 Allowed Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.953 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -61.88 -41.32 97.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.769 0.318 . . . . 0.0 110.461 179.653 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.726 ' N ' HD13 ' A' ' 10' ' ' LEU . . . -30.81 -28.22 0.01 OUTLIER Glycine 0 CA--C 1.523 0.57 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.386 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.679 HG22 ' HB3' ' A' ' 16' ' ' PHE . 10.3 p -58.39 -45.03 89.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.599 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -65.54 -31.38 79.97 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.81 85.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 111.072 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.92 HD22 ' CE1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -102.96 -47.74 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.494 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.834 ' H ' HD23 ' A' ' 15' ' ' LEU . 11.2 t80 -77.33 -32.07 54.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.599 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' DAL . . . . . 0.951 ' HB3' ' O ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.55 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . -69.13 -45.54 69.86 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.376 -0.53 . . . . 0.0 111.437 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.55 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -106.94 -40.79 5.37 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.309 -0.557 . . . . 0.0 111.93 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.951 ' O ' ' HB3' ' A' ' 17' ' ' DAL . 24.2 m-85 -129.92 123.21 30.16 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.654 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.409 ' HA ' ' HB2' ' A' ' 17' ' ' DAL . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.547 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.483 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.77 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.77 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -80.35 -24.53 5.36 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.917 2.411 . . . . 0.0 112.348 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.5 -32.55 70.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.91 0.386 . . . . 0.0 111.188 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.618 ' HB2' ' O ' ' A' ' 1' ' ' ABA . 11.5 m -77.4 -34.48 54.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.366 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.676 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -58.52 -49.21 78.2 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.468 -179.586 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' DBU . . . . . 0.541 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 8' ' ' ILE . 32.3 mm -65.24 -44.06 95.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.69 -102.08 0.12 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.852 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -61.47 -33.07 73.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.743 0.306 . . . . 0.0 110.394 -179.848 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.64 ' HA3' ' O ' ' A' ' 6' ' ' PHE . . . -36.79 -22.54 0.01 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.612 ' N ' ' O ' ' A' ' 10' ' ' LEU . 14.5 p -61.27 -40.43 86.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.607 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -57.41 -44.94 93.42 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.87 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.92 -36.49 75.39 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.432 -0.452 . . . . 0.0 110.515 179.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.625 ' HB3' ' CE1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -84.86 -69.06 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.793 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.61 ' HB3' HG22 ' A' ' 12' ' ' VAL . 41.3 t80 -76.68 -31.8 57.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.99 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' DAL . . . . . 0.607 ' HA ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.87 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -67.71 -41.96 82.72 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.272 -179.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.574 ' CG ' ' CD1' ' A' ' 20' ' ' PHE . 0.5 OUTLIER -101.45 -33.31 10.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.195 0.521 . . . . 0.0 110.405 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.738 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 97.1 m-85 -103.64 -177.99 3.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.857 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.738 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 13.7 p . . . . . 0 C--N 1.321 -0.642 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.837 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ABA . . . . . 0.507 ' C ' ' HB2' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.496 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 41.7 Cg_exo -54.49 -36.54 88.57 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.711 2.274 . . . . 0.0 112.297 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.79 -29.37 65.54 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.492 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.507 ' HB2' ' C ' ' A' ' 1' ' ' ABA . 3.9 m -80.48 -33.43 36.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.535 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.74 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -57.77 -50.37 73.48 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.458 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' DBU . . . . . 0.556 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 8' ' ' ILE . 30.9 mm -65.43 -43.81 94.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.651 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.06 -100.06 0.29 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.121 HD13 ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -60.54 -26.67 67.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.886 0.374 . . . . 0.0 110.667 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 1.121 ' N ' HD13 ' A' ' 10' ' ' LEU . . . -45.56 -24.62 1.16 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.644 HG23 ' CD1' ' A' ' 16' ' ' PHE . 8.9 p -62.18 -40.99 89.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.626 ' O ' ' CA ' ' A' ' 17' ' ' DAL . . . -64.59 -49.06 66.62 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.462 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -69.65 -40.74 76.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.15 0.5 . . . . 0.0 110.263 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.558 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -69.67 -67.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.473 -179.503 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.644 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -95.79 -29.9 13.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.009 -179.283 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' DAL . . . . . 0.637 ' O ' ' O ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . -69.42 -37.96 77.69 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.241 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -101.82 -16.68 16.51 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.634 0.73 . . . . 0.0 109.825 -179.358 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.692 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 2.0 m-85 -126.93 177.23 6.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.456 -1.247 . . . . 0.0 108.998 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.692 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 8.9 p . . . . . 0 C--N 1.315 -0.921 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.903 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 93.3 mt . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.751 0.31 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.904 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -101.25 -70.75 0.9 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.834 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -62.96 -39.79 95.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.04 0.448 . . . . 0.0 110.605 179.565 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.56 ' O ' ' HB3' ' A' ' 15' ' ' LEU . . . -33.8 -37.82 0.08 OUTLIER Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.904 HG12 ' O ' ' A' ' 9' ' ' GLY . 13.2 p -61.25 -42.56 93.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.572 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -65.17 -46.05 89.24 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.759 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -68.12 -40.04 82.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.978 0.418 . . . . 0.0 110.143 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.785 HD23 ' N ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -86.49 -68.05 0.77 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.806 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.785 ' N ' HD23 ' A' ' 15' ' ' LEU . 49.7 t80 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.155 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.759 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -104.14 -35.21 8.12 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.721 0.772 . . . . 0.0 109.861 179.847 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.707 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 97.7 m-85 -98.82 179.25 4.71 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.471 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.707 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 12.0 p . . . . . 0 C--N 1.321 -0.657 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.683 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 94.1 mt . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.692 0.282 . . . . 0.0 111.403 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.7 -101.37 0.15 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.854 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -62.75 -33.38 75.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.958 0.409 . . . . 0.0 110.004 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.434 ' N ' ' HG ' ' A' ' 10' ' ' LEU . . . -35.57 -24.67 0.01 OUTLIER Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.599 ' N ' ' O ' ' A' ' 10' ' ' LEU . 7.4 p -61.77 -40.53 87.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.795 0.331 . . . . 0.0 110.384 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.56 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -55.85 -43.56 87.27 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.68 -37.87 76.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.36 0.6 . . . . 0.0 109.703 178.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.7 tp -72.84 -69.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.175 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.521 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 6.4 m-85 . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.428 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . 0 N--CA 1.465 0.289 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.597 ' HG2' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -101.07 -29.71 12.0 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.54 0.686 . . . . 0.0 109.47 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.672 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 92.4 m-85 -108.51 175.52 5.44 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.685 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.672 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 4.7 p . . . . . 0 C--N 1.317 -0.832 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.472 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.1 mt . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.611 0.243 . . . . 0.0 111.503 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.975 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -102.1 -69.27 0.83 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.85 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -62.91 -33.38 75.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.967 0.413 . . . . 0.0 110.479 179.69 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.537 ' O ' ' HB3' ' A' ' 15' ' ' LEU . . . -42.27 -32.48 1.14 Allowed Glycine 0 CA--C 1.52 0.404 0 N-CA-C 111.399 -0.681 . . . . 0.0 111.399 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.975 HG12 ' O ' ' A' ' 9' ' ' GLY . 7.2 p -61.35 -38.44 79.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -67.08 -46.87 68.51 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.532 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -68.32 -38.79 81.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.341 0.591 . . . . 0.0 109.971 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.576 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -85.7 -69.69 0.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.925 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.611 ' N ' ' O ' ' A' ' 12' ' ' VAL . 28.7 t80 . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.49 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.574 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . . . . . . 0 N--CA 1.465 0.283 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.576 ' NZ ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -103.35 -35.23 8.47 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.792 0.806 . . . . 0.0 109.413 179.664 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.698 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 92.3 m-85 -98.43 177.64 5.28 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.275 -1.33 . . . . 0.0 109.457 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.698 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.3 p . . . . . 0 C--N 1.321 -0.653 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.987 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.575 HG13 ' N ' ' A' ' 9' ' ' GLY . 24.1 pt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.713 0.292 . . . . 0.0 110.782 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.629 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -99.23 -39.24 3.55 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.888 HD13 ' C ' ' A' ' 10' ' ' LEU . 2.6 tm? -61.62 -42.71 99.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 0.0 110.8 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.532 ' O ' ' HG ' ' A' ' 15' ' ' LEU . . . -60.85 -41.49 99.23 Favored Glycine 0 CA--C 1.519 0.333 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.629 HG12 ' O ' ' A' ' 9' ' ' GLY . 0.3 OUTLIER -62.9 -40.05 87.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.419 -0.512 . . . . 0.0 109.933 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.454 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -64.12 -40.59 98.22 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.862 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.5 -40.38 77.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.263 0.554 . . . . 0.0 110.429 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.562 ' O ' ' CE ' ' A' ' 19' ' ' LYS . 2.3 mt -85.22 -61.21 1.82 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.036 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.585 ' N ' ' O ' ' A' ' 12' ' ' VAL . 79.5 t80 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.301 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.862 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 CA--C 1.531 0.23 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.562 ' CE ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -102.86 -35.09 8.74 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.573 0.702 . . . . 0.0 109.536 179.497 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.684 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 94.4 m-85 -98.53 176.93 5.49 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.091 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.684 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 7.2 p . . . . . 0 C--N 1.318 -0.767 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.691 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.41 ' HA ' HD13 ' A' ' 8' ' ' ILE . 31.5 mm . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 120.684 0.278 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.496 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -88.48 -49.48 3.66 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.816 HD12 ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -64.4 -35.02 79.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 110.711 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.558 ' O ' ' HG ' ' A' ' 15' ' ' LEU . . . -57.99 -46.38 92.62 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 -179.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.601 ' O ' ' N ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -64.67 -39.24 84.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.153 0.502 . . . . 0.0 109.991 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.448 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -64.23 -40.31 97.85 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 1.034 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.62 -38.11 77.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.02 0.438 . . . . 0.0 110.558 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 5.8 mt -89.14 -61.12 1.77 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.892 -179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.601 ' N ' ' O ' ' A' ' 12' ' ' VAL . 64.8 t80 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.662 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.034 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.62 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -103.66 -34.59 8.56 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.608 0.718 . . . . 0.0 110.164 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.7 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 89.8 m-85 -101.63 179.37 4.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.112 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.7 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.7 p . . . . . 0 C--N 1.319 -0.719 0 CA-C-O 117.898 -1.048 . . . . 0.0 110.725 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.4 mm . . . . . 0 N--CA 1.462 0.131 0 CA-C-O 120.763 0.316 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.53 -104.04 0.05 OUTLIER Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.851 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -64.03 -31.75 73.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.971 0.415 . . . . 0.0 110.058 179.792 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.417 ' N ' ' HG ' ' A' ' 10' ' ' LEU . . . -36.75 -23.25 0.01 OUTLIER Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.591 ' N ' ' O ' ' A' ' 10' ' ' LEU . 1.6 p -63.03 -38.21 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.014 0.435 . . . . 0.0 110.118 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.488 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -53.95 -53.59 36.0 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.47 -42.2 87.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.095 0.474 . . . . 0.0 110.343 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.1 tp -65.06 -63.79 1.02 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.203 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.539 ' CD2' ' CD1' ' A' ' 20' ' ' PHE . 1.3 m-85 . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.821 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.612 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -101.47 -16.71 16.74 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.579 0.704 . . . . 0.0 109.93 -179.526 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.701 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 95.1 m-85 -127.06 177.53 6.59 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.605 -1.179 . . . . 0.0 109.436 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.701 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 7.5 p . . . . . 0 C--N 1.316 -0.856 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.905 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.831 ' O ' HG23 ' A' ' 12' ' ' VAL . 94.0 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.757 0.313 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.91 -42.38 4.73 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.88 HD13 ' C ' ' A' ' 10' ' ' LEU . 2.8 tm? -62.5 -44.74 95.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 0.0 110.751 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.526 ' O ' ' HG ' ' A' ' 15' ' ' LEU . . . -65.43 -36.06 92.14 Favored Glycine 0 CA--C 1.518 0.257 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 8' ' ' ILE . 42.6 t -61.16 -46.5 96.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.88 -39.34 94.97 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.989 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.71 -38.88 77.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.204 0.526 . . . . 0.0 110.568 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.542 ' O ' ' CE ' ' A' ' 19' ' ' LYS . 63.2 mt -92.98 -63.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.165 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.599 ' N ' ' O ' ' A' ' 12' ' ' VAL . 82.0 t80 . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.473 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.989 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.466 0.362 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.542 ' CE ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -102.72 -35.2 8.76 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.534 0.683 . . . . 0.0 109.528 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.666 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 98.8 m-85 -99.45 175.72 5.75 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.701 -1.136 . . . . 0.0 108.687 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 2.9 p . . . . . 0 C--N 1.316 -0.875 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.471 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.695 ' O ' HG23 ' A' ' 12' ' ' VAL . 16.6 tt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.738 0.304 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.495 ' N ' HG23 ' A' ' 8' ' ' ILE . . . -95.25 -41.87 3.87 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.866 HD13 ' C ' ' A' ' 10' ' ' LEU . 3.1 tm? -62.44 -44.73 95.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 110.687 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.517 ' O ' ' HG ' ' A' ' 15' ' ' LEU . . . -65.87 -37.64 93.52 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 8' ' ' ILE . 38.7 t -60.97 -46.1 97.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.69 -39.96 95.59 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 1.008 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.94 -39.62 75.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.191 0.52 . . . . 0.0 110.58 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 66.5 mt -92.66 -63.27 1.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.263 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.593 ' N ' ' O ' ' A' ' 12' ' ' VAL . 82.8 t80 . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.415 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.008 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.466 0.343 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.548 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -102.95 -35.26 8.64 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.601 0.715 . . . . 0.0 109.685 179.832 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.676 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 94.2 m-85 -99.39 176.44 5.51 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.571 -1.195 . . . . 0.0 108.797 179.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.676 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 3.9 p . . . . . 0 C--N 1.316 -0.884 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.606 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.419 HD13 ' HA ' ' A' ' 8' ' ' ILE . 32.2 mm . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.83 0.347 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.604 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -92.25 -88.01 1.5 Allowed Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.819 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -59.4 -32.65 70.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.834 0.35 . . . . 0.0 110.392 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.495 ' N ' ' HG ' ' A' ' 10' ' ' LEU . . . -37.54 -32.34 0.09 OUTLIER Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.604 HG12 ' O ' ' A' ' 9' ' ' GLY . 14.8 p -61.18 -39.94 84.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.72 0.295 . . . . 0.0 110.308 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -58.27 -48.97 80.34 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.67 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -70.51 -36.0 73.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.012 0.434 . . . . 0.0 110.476 179.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.453 ' CD2' ' HD1' ' A' ' 16' ' ' PHE . 11.5 tp -74.31 -66.42 0.73 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.485 ' HA ' ' CE ' ' A' ' 19' ' ' LYS . 4.3 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.957 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.67 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.569 0.223 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.609 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -100.43 -31.78 11.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.465 179.333 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.756 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 96.7 m-85 -105.56 -178.04 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.893 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.756 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 13.8 p . . . . . 0 C--N 1.322 -0.621 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.676 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.724 ' O ' HG23 ' A' ' 12' ' ' VAL . 11.2 tp . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.662 0.268 . . . . 0.0 110.73 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.518 ' N ' HG23 ' A' ' 8' ' ' ILE . . . -95.02 -41.46 4.04 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.866 HD13 ' C ' ' A' ' 10' ' ' LEU . 3.0 tm? -62.59 -44.48 96.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.779 0.323 . . . . 0.0 110.716 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.53 ' O ' ' HG ' ' A' ' 15' ' ' LEU . . . -65.97 -37.4 93.17 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 8' ' ' ILE . 42.9 t -60.86 -46.37 96.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.93 -38.51 94.28 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.94 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.97 -39.39 76.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.088 0.47 . . . . 0.0 110.564 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 65.0 mt -93.45 -61.17 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.542 -178.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.603 ' N ' ' O ' ' A' ' 12' ' ' VAL . 75.5 t80 . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.323 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.94 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.464 0.232 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 3.0 mmtp -99.1 -34.92 10.19 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.737 0.779 . . . . 0.0 108.994 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.66 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 3.5 m-85 -106.66 175.63 5.44 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.169 -1.378 . . . . 0.0 108.895 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.66 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 3.6 p . . . . . 0 C--N 1.315 -0.907 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.484 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.502 HG23 ' N ' ' A' ' 9' ' ' GLY . 20.6 tt . . . . . 0 CA--C 1.527 0.078 0 CA-C-O 120.638 0.256 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.502 ' N ' HG23 ' A' ' 8' ' ' ILE . . . -89.81 -46.54 4.21 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.81 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -63.69 -41.76 98.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.662 0.267 . . . . 0.0 110.68 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.557 ' O ' ' HG ' ' A' ' 15' ' ' LEU . . . -64.02 -42.19 98.29 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.619 ' O ' ' N ' ' A' ' 16' ' ' PHE . 2.3 t -60.57 -46.31 95.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.727 -0.389 . . . . 0.0 109.952 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.94 -39.2 96.32 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 1.046 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.75 -39.43 76.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.193 0.521 . . . . 0.0 110.489 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 60.2 mt -91.65 -62.42 1.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.26 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.619 ' N ' ' O ' ' A' ' 12' ' ' VAL . 84.4 t80 . . . . . 0 N--CA 1.448 -0.539 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.236 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.046 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 CA--C 1.532 0.272 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.629 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -102.59 -34.45 9.09 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.675 0.75 . . . . 0.0 110.207 -179.732 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.718 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 96.5 m-85 -102.52 178.71 4.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.44 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.718 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.3 p . . . . . 0 C--N 1.318 -0.778 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.82 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.855 ' O ' HG23 ' A' ' 12' ' ' VAL . 93.8 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.642 0.258 . . . . 0.0 110.711 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.69 -50.0 5.16 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.827 HD12 ' C ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -64.54 -41.65 96.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.748 0.309 . . . . 0.0 110.966 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.546 ' O ' ' HG ' ' A' ' 15' ' ' LEU . . . -63.16 -35.57 92.26 Favored Glycine 0 C--O 1.228 -0.257 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 8' ' ' ILE . 25.4 t -60.6 -46.69 95.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.29 -38.49 95.12 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.967 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.68 -39.1 77.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.14 0.495 . . . . 0.0 110.56 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 6.4 mt -89.06 -60.7 1.88 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.303 -179.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.59 ' HA ' ' HZ2' ' A' ' 19' ' ' LYS . 85.1 t80 . . . . . 0 C--N 1.323 -0.543 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.093 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.967 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 CA--C 1.533 0.304 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.625 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -102.54 -34.97 8.91 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.514 0.673 . . . . 0.0 109.613 179.799 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.657 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 94.4 m-85 -99.39 175.83 5.72 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.834 -1.076 . . . . 0.0 108.565 178.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.657 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 3.2 p . . . . . 0 C--N 1.316 -0.867 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.499 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.0 mt . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.707 0.289 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.91 -98.91 0.44 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.371 -0.691 . . . . 0.0 111.371 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.133 HD13 ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -60.29 -26.84 66.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.747 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 1.133 ' N ' HD13 ' A' ' 10' ' ' LEU . . . -45.99 -26.34 2.04 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 -179.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.61 ' O ' ' N ' ' A' ' 16' ' ' PHE . 7.6 p -60.64 -38.63 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.469 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -62.7 -41.48 99.82 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.15 -39.0 79.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.18 0.514 . . . . 0.0 110.135 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.738 HD23 ' H ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -89.33 -70.67 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.753 -179.872 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.738 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.392 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.36 0.124 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.588 ' CD ' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -107.09 -40.71 5.36 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.2 -0.6 . . . . 0.0 112.062 179.482 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.568 ' O ' ' O ' ' A' ' 16' ' ' PHE . 28.3 m-85 -130.2 121.65 26.63 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.072 -179.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.52 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 8' ' ' ILE . 31.2 mm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.625 0.25 . . . . 0.0 111.366 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.23 -56.36 2.57 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.703 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 11' ' ' GLY . 3.9 pp -63.47 -33.64 76.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.736 0.303 . . . . 0.0 111.11 -179.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.6 ' N ' HD12 ' A' ' 10' ' ' LEU . . . -57.27 -43.1 93.74 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 121.067 -0.587 . . . . 0.0 111.775 -179.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.61 ' O ' ' N ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -63.95 -40.31 88.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.889 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.45 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -64.67 -37.67 94.67 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 1.027 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.65 -38.8 77.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.152 0.501 . . . . 0.0 110.417 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.547 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 40.9 mt -91.27 -61.12 1.72 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.242 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.61 ' N ' ' O ' ' A' ' 12' ' ' VAL . 76.5 t80 . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.46 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.027 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.595 ' HG2' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -103.24 -35.29 8.5 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.562 0.696 . . . . 0.0 109.506 179.648 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.679 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 93.3 m-85 -98.3 175.87 5.91 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.732 178.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.679 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 5.2 p . . . . . 0 C--N 1.317 -0.824 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.014 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.6 mt . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 120.69 0.281 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.43 -100.12 0.32 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.107 HD13 ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -61.29 -27.29 68.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.916 0.388 . . . . 0.0 110.604 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 1.107 ' N ' HD13 ' A' ' 10' ' ' LEU . . . -43.64 -24.47 0.44 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 16' ' ' PHE . 7.8 p -63.0 -39.17 84.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.056 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -62.96 -49.37 72.82 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.811 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.22 -41.69 76.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.201 0.524 . . . . 0.0 110.158 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.545 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER -72.69 -61.34 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.756 -179.148 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.643 ' CZ ' ' CB ' ' A' ' 20' ' ' PHE . 19.8 t80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.425 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.811 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.465 0.281 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.61 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -101.89 -34.07 9.53 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.737 0.78 . . . . 0.0 109.587 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.7 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 97.5 m-85 -101.73 177.41 4.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.23 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.7 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.2 p . . . . . 0 C--N 1.318 -0.798 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.814 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 CA--C 1.528 0.126 0 CA-C-O 120.755 0.312 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.482 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -81.05 -57.21 2.87 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.793 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -64.14 -32.75 74.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.855 0.36 . . . . 0.0 110.781 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.548 ' O ' ' HG ' ' A' ' 15' ' ' LEU . . . -57.35 -46.65 91.58 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.636 ' O ' ' N ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -64.39 -42.25 94.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.225 179.753 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.502 ' N ' ' CG1' ' A' ' 12' ' ' VAL . . . -65.1 -39.67 96.43 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.902 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.77 -37.05 76.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.018 0.437 . . . . 0.0 110.646 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 52.3 mt -95.18 -62.11 1.36 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.034 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.636 ' N ' ' O ' ' A' ' 12' ' ' VAL . 85.9 t80 . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.207 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.902 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.464 0.273 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.611 ' HG3' ' CD1' ' A' ' 20' ' ' PHE . 2.0 ptpt -102.05 -17.67 15.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.469 0.652 . . . . 0.0 110.222 -178.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.702 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 14.2 m-85 -127.38 178.92 5.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.768 -1.106 . . . . 0.0 109.366 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.702 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.8 p . . . . . 0 C--N 1.32 -0.707 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.924 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.401 ' HA ' HD13 ' A' ' 8' ' ' ILE . 31.9 mm . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.812 0.339 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.5 -106.67 0.09 OUTLIER Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.845 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -60.55 -29.68 69.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.786 0.326 . . . . 0.0 110.187 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.427 ' N ' ' HG ' ' A' ' 10' ' ' LEU . . . -38.64 -20.14 0.01 OUTLIER Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.61 ' N ' ' O ' ' A' ' 10' ' ' LEU . 13.5 p -60.02 -38.01 74.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.579 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -57.18 -45.29 92.75 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.579 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.86 -36.06 75.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.95 0.405 . . . . 0.0 110.253 179.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.0 tp -74.21 -66.15 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.202 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.62 ' CD2' ' HE3' ' A' ' 19' ' ' LYS . 5.6 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.091 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.52 0.2 . . . . 0.0 111.486 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.62 ' HE3' ' CD2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -101.01 -23.79 14.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.203 0.525 . . . . 0.0 110.129 -179.532 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.738 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 14.4 m-30 -116.65 -178.55 3.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.681 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.738 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 14.0 p . . . . . 0 C--N 1.321 -0.661 0 CA-C-O 117.919 -1.038 . . . . 0.0 110.929 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.453 HD13 ' HA ' ' A' ' 8' ' ' ILE . 31.4 mm . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.753 0.311 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.57 -93.76 0.43 Allowed Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.953 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -61.88 -41.32 97.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.769 0.318 . . . . 0.0 110.461 179.653 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.726 ' N ' HD13 ' A' ' 10' ' ' LEU . . . -30.81 -28.22 0.01 OUTLIER Glycine 0 CA--C 1.523 0.57 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.386 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.679 HG22 ' HB3' ' A' ' 16' ' ' PHE . 10.3 p -58.39 -45.03 89.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.599 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -65.54 -31.38 79.97 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.81 85.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 111.072 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.834 HD23 ' H ' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -102.96 -47.74 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.494 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.834 ' H ' HD23 ' A' ' 15' ' ' LEU . 11.2 t80 . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.599 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.55 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 111.437 0.162 . . . . 0.0 111.437 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.55 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -106.94 -40.79 5.37 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.309 -0.557 . . . . 0.0 111.93 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.601 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 24.2 m-85 -129.92 123.21 30.16 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.654 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.547 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.483 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 8' ' ' ILE . 32.3 mm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.888 0.375 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.69 -102.08 0.12 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.852 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -61.47 -33.07 73.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.743 0.306 . . . . 0.0 110.394 -179.848 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.477 ' N ' ' HG ' ' A' ' 10' ' ' LEU . . . -36.79 -22.54 0.01 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.612 ' N ' ' O ' ' A' ' 10' ' ' LEU . 14.5 p -61.27 -40.43 86.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.497 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -57.41 -44.94 93.42 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.87 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.92 -36.49 75.39 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.432 -0.452 . . . . 0.0 110.515 179.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.52 ' O ' ' HD3' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -84.86 -69.06 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.793 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.61 ' HB3' HG22 ' A' ' 12' ' ' VAL . 41.3 t80 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.99 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.87 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.461 0.118 0 CA-C-O 120.779 0.323 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.574 ' CG ' ' CD1' ' A' ' 20' ' ' PHE . 0.5 OUTLIER -101.45 -33.31 10.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.195 0.521 . . . . 0.0 110.405 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.738 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 97.1 m-85 -103.64 -177.99 3.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.857 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.738 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 13.7 p . . . . . 0 C--N 1.321 -0.642 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.837 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 8' ' ' ILE . 30.9 mm . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 120.624 0.25 . . . . 0.0 111.651 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.06 -100.06 0.29 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.121 HD13 ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -60.54 -26.67 67.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.886 0.374 . . . . 0.0 110.667 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 1.121 ' N ' HD13 ' A' ' 10' ' ' LEU . . . -45.56 -24.62 1.16 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.644 HG23 ' CD1' ' A' ' 16' ' ' PHE . 8.9 p -62.18 -40.99 89.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.566 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -64.59 -49.06 66.62 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.462 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -69.65 -40.74 76.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.15 0.5 . . . . 0.0 110.263 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.558 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -69.67 -67.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.473 -179.503 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.644 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.009 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -101.82 -16.68 16.51 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.634 0.73 . . . . 0.0 109.825 -179.358 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.692 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 2.0 m-85 -126.93 177.23 6.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.456 -1.247 . . . . 0.0 108.998 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.692 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 8.9 p . . . . . 0 C--N 1.315 -0.921 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.903 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.675 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.675 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 2' ' ' DBU . 31.1 Cg_endo -64.67 -27.44 60.69 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.773 2.315 . . . . 0.0 112.253 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 1' ' ' ABA . . . -71.15 -19.47 62.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.955 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 1' ' ' ABA . 4.5 m -103.92 30.57 5.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.347 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.658 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -58.69 -48.59 80.59 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.302 -179.679 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . 0.529 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 93.3 mt -63.96 -44.1 97.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.065 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.904 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -101.25 -70.75 0.9 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.834 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -62.96 -39.79 95.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.04 0.448 . . . . 0.0 110.605 179.565 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.621 ' CA ' ' O ' ' A' ' 6' ' ' PHE . . . -33.8 -37.82 0.08 OUTLIER Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.904 HG12 ' O ' ' A' ' 9' ' ' GLY . 13.2 p -61.25 -42.56 93.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.599 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -65.17 -46.05 89.24 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.759 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -68.12 -40.04 82.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.978 0.418 . . . . 0.0 110.143 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.785 HD23 ' N ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -86.49 -68.05 0.77 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.806 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.785 ' N ' HD23 ' A' ' 15' ' ' LEU . 49.7 t80 -73.98 -30.45 62.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.155 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . 0.634 ' HB3' ' O ' ' A' ' 16' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.759 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -67.66 -41.17 84.21 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -178.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -104.14 -35.21 8.12 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.721 0.772 . . . . 0.0 109.861 179.847 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.707 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 97.7 m-85 -98.82 179.25 4.71 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.471 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.707 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 12.0 p . . . . . 0 C--N 1.321 -0.657 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.683 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -64.36 -25.67 63.78 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.797 2.331 . . . . 0.0 112.443 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.36 -28.14 22.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.852 0.358 . . . . 0.0 110.535 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.0 m -74.95 -30.85 61.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.573 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.644 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -57.57 -49.08 77.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.705 -179.661 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . 0.527 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 94.1 mt -64.69 -43.98 96.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.403 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.7 -101.37 0.15 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.854 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -62.75 -33.38 75.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.958 0.409 . . . . 0.0 110.004 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.604 ' HA3' ' O ' ' A' ' 6' ' ' PHE . . . -35.57 -24.67 0.01 OUTLIER Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.599 ' N ' ' O ' ' A' ' 10' ' ' LEU . 7.4 p -61.77 -40.53 87.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.795 0.331 . . . . 0.0 110.384 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.62 ' O ' ' CA ' ' A' ' 17' ' ' DAL . . . -55.85 -43.56 87.27 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.68 -37.87 76.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.36 0.6 . . . . 0.0 109.703 178.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.64 ' HB2' ' CE1' ' A' ' 6' ' ' PHE . 41.7 tp -72.84 -69.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.175 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.521 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 6.4 m-85 -94.1 -28.31 15.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.428 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . 0.62 ' CA ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . -66.48 -40.77 89.51 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -178.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.597 ' HG2' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -101.07 -29.71 12.0 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.54 0.686 . . . . 0.0 109.47 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.679 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 92.4 m-85 -108.51 175.52 5.44 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.685 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.679 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 4.7 p . . . . . 0 C--N 1.317 -0.832 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.472 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.605 ' C ' ' HB2' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.436 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.436 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 43.0 Cg_exo -54.41 -36.57 88.0 Favored 'Trans proline' 0 C--N 1.303 -1.84 0 C-N-CA 122.841 2.36 . . . . 0.0 112.149 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.78 -29.41 65.61 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.538 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.605 ' HB2' ' C ' ' A' ' 1' ' ' ABA . 2.5 m -81.07 -29.56 34.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.563 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.645 ' O ' ' CA ' ' A' ' 11' ' ' GLY . 0.7 OUTLIER -57.47 -49.6 75.74 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.784 -179.564 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . 0.555 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.68 -43.9 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.503 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.975 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -102.1 -69.27 0.83 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.85 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -62.91 -33.38 75.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.967 0.413 . . . . 0.0 110.479 179.69 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.645 ' CA ' ' O ' ' A' ' 6' ' ' PHE . . . -42.27 -32.48 1.14 Allowed Glycine 0 CA--C 1.52 0.404 0 N-CA-C 111.399 -0.681 . . . . 0.0 111.399 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.975 HG12 ' O ' ' A' ' 9' ' ' GLY . 7.2 p -61.35 -38.44 79.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.6 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -67.08 -46.87 68.51 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.532 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -68.32 -38.79 81.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.341 0.591 . . . . 0.0 109.971 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.576 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -85.7 -69.69 0.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.925 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.611 ' N ' ' O ' ' A' ' 12' ' ' VAL . 28.7 t80 -75.18 -29.72 60.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.49 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . 0.6 ' HA ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.574 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . -68.45 -42.0 79.44 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.576 ' NZ ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -103.35 -35.23 8.47 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.792 0.806 . . . . 0.0 109.413 179.664 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.699 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 92.3 m-85 -98.43 177.64 5.28 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.275 -1.33 . . . . 0.0 109.457 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.699 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.3 p . . . . . 0 C--N 1.321 -0.653 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.987 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -67.2 -20.04 50.0 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 C-N-CA 122.82 2.347 . . . . 0.0 112.408 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.417 ' O ' ' HG3' ' A' ' 7' ' ' DBU . . . -84.53 -28.15 26.87 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.723 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.512 ' O ' HD12 ' A' ' 10' ' ' LEU . 2.4 m -74.75 -34.78 62.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.614 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.651 ' CD1' ' HA3' ' A' ' 11' ' ' GLY . 8.7 t80 -58.9 -46.84 86.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.701 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . 0.567 ' O ' ' O ' ' A' ' 6' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.575 HG13 ' N ' ' A' ' 9' ' ' GLY . 24.1 pt -68.44 -43.34 84.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.782 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.629 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -99.23 -39.24 3.55 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.888 HD13 ' C ' ' A' ' 10' ' ' LEU . 2.6 tm? -61.62 -42.71 99.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 0.0 110.8 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.651 ' HA3' ' CD1' ' A' ' 6' ' ' PHE . . . -60.85 -41.49 99.23 Favored Glycine 0 CA--C 1.519 0.333 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.629 HG12 ' O ' ' A' ' 9' ' ' GLY . 0.3 OUTLIER -62.9 -40.05 87.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.419 -0.512 . . . . 0.0 109.933 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.581 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -64.12 -40.59 98.22 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.862 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.5 -40.38 77.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.263 0.554 . . . . 0.0 110.429 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.562 ' O ' ' CE ' ' A' ' 19' ' ' LYS . 2.3 mt -85.22 -61.21 1.82 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.036 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.608 ' O ' ' HB3' ' A' ' 17' ' ' DAL . 79.5 t80 -74.71 -32.7 62.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.301 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . 0.608 ' HB3' ' O ' ' A' ' 16' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.862 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -67.08 -42.18 85.09 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.562 ' CE ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -102.86 -35.09 8.74 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.573 0.702 . . . . 0.0 109.536 179.497 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.684 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 94.4 m-85 -98.53 176.93 5.49 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.091 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.684 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 7.2 p . . . . . 0 C--N 1.318 -0.767 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.691 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.603 ' HB3' ' N ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 2' ' ' DBU . 30.1 Cg_endo -64.06 -31.16 65.96 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.753 2.302 . . . . 0.0 112.204 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.82 -29.02 65.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.558 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.662 ' O ' HD21 ' A' ' 10' ' ' LEU . 1.3 m -70.3 -27.5 64.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.43 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.619 ' O ' ' CA ' ' A' ' 11' ' ' GLY . 25.6 t80 -56.97 -48.37 78.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.735 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . 0.606 ' HG2' ' CD2' ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 8' ' ' ILE . 31.5 mm -64.13 -43.88 97.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.189 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.496 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -88.48 -49.48 3.66 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.816 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -64.4 -35.02 79.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 110.711 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.619 ' CA ' ' O ' ' A' ' 6' ' ' PHE . . . -57.99 -46.38 92.62 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 -179.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.601 ' O ' ' N ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -64.67 -39.24 84.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.153 0.502 . . . . 0.0 109.991 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.596 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -64.23 -40.31 97.85 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.034 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.62 -38.11 77.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.02 0.438 . . . . 0.0 110.558 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 5.8 mt -89.14 -61.12 1.77 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.892 -179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.657 ' O ' ' HB3' ' A' ' 17' ' ' DAL . 64.8 t80 -74.68 -32.44 62.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.662 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . 0.657 ' HB3' ' O ' ' A' ' 16' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.034 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -66.32 -40.63 90.04 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.517 -178.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.62 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -103.66 -34.59 8.56 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.608 0.718 . . . . 0.0 110.164 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.701 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 89.8 m-85 -101.63 179.37 4.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.112 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.701 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.7 p . . . . . 0 C--N 1.319 -0.719 0 CA-C-O 117.898 -1.048 . . . . 0.0 110.725 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.477 ' C ' ' HB2' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.52 -22.06 52.08 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.794 2.33 . . . . 0.0 112.313 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.34 -27.95 25.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.657 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.477 ' HB2' ' C ' ' A' ' 1' ' ' ABA . 3.3 m -78.96 -26.14 43.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.405 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.668 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -57.48 -49.45 76.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.68 -179.389 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . 0.561 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.4 mm -65.65 -44.06 93.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.141 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.53 -104.04 0.05 OUTLIER Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.851 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -64.03 -31.75 73.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.971 0.415 . . . . 0.0 110.058 179.792 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.63 ' HA3' ' O ' ' A' ' 6' ' ' PHE . . . -36.75 -23.25 0.01 OUTLIER Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.591 ' N ' ' O ' ' A' ' 10' ' ' LEU . 1.6 p -63.03 -38.21 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.014 0.435 . . . . 0.0 110.118 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.639 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -53.95 -53.59 36.0 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.47 -42.2 87.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.095 0.474 . . . . 0.0 110.343 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.643 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 24.1 tp -65.06 -63.79 1.02 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.203 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.539 ' CD2' ' CD1' ' A' ' 20' ' ' PHE . 1.3 m-85 -75.13 -26.89 59.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.821 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . 0.639 ' HA ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.75 -39.29 80.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.272 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.612 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -101.47 -16.71 16.74 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.579 0.704 . . . . 0.0 109.93 -179.526 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.701 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 95.1 m-85 -127.06 177.53 6.59 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.605 -1.179 . . . . 0.0 109.436 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.701 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 7.5 p . . . . . 0 C--N 1.316 -0.856 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.905 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.586 ' HB3' ' N ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.506 ' N ' ' HB2' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 45.6 Cg_exo -54.05 -36.18 83.83 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.939 2.426 . . . . 0.0 112.384 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.74 -27.58 26.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 0.0 110.469 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.586 ' N ' ' HB3' ' A' ' 1' ' ' ABA . 2.3 m -75.16 -30.16 60.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.612 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.608 ' O ' ' O ' ' A' ' 7' ' ' DBU . 9.7 t80 -57.72 -48.99 78.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.006 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . 0.608 ' O ' ' O ' ' A' ' 6' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.831 ' O ' HG23 ' A' ' 12' ' ' VAL . 94.0 mt -64.06 -43.92 97.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.866 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.91 -42.38 4.73 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.88 HD13 ' C ' ' A' ' 10' ' ' LEU . 2.8 tm? -62.5 -44.74 95.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 0.0 110.751 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.607 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -65.43 -36.06 92.14 Favored Glycine 0 CA--C 1.518 0.257 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 8' ' ' ILE . 42.6 t -61.16 -46.5 96.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.527 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -65.88 -39.34 94.97 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.989 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.71 -38.88 77.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.204 0.526 . . . . 0.0 110.568 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.607 HD12 ' HE1' ' A' ' 6' ' ' PHE . 63.2 mt -92.98 -63.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.165 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.638 ' O ' ' HB3' ' A' ' 17' ' ' DAL . 82.0 t80 -74.28 -30.64 62.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.473 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . 0.638 ' HB3' ' O ' ' A' ' 16' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.989 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -66.81 -41.96 86.69 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -178.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.542 ' CE ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -102.72 -35.2 8.76 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.534 0.683 . . . . 0.0 109.528 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.666 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 98.8 m-85 -99.45 175.72 5.75 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.701 -1.136 . . . . 0.0 108.687 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 2.9 p . . . . . 0 C--N 1.316 -0.875 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.471 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.594 ' HB3' ' N ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -65.08 -25.71 58.44 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.794 2.329 . . . . 0.0 112.469 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.73 -27.52 22.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.853 0.359 . . . . 0.0 110.687 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.594 ' N ' ' HB3' ' A' ' 1' ' ' ABA . 1.5 m -65.99 -27.21 67.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.805 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.628 ' CD2' ' HA3' ' A' ' 11' ' ' GLY . 1.1 t80 -57.43 -48.71 78.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.588 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . 0.601 ' O ' ' O ' ' A' ' 6' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.695 ' O ' HG23 ' A' ' 12' ' ' VAL . 16.6 tt -68.32 -41.74 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.802 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.495 ' N ' HG23 ' A' ' 8' ' ' ILE . . . -95.25 -41.87 3.87 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.866 HD13 ' C ' ' A' ' 10' ' ' LEU . 3.1 tm? -62.44 -44.73 95.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 110.687 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.628 ' HA3' ' CD2' ' A' ' 6' ' ' PHE . . . -65.87 -37.64 93.52 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 8' ' ' ILE . 38.7 t -60.97 -46.1 97.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.526 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -65.69 -39.96 95.59 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.008 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.94 -39.62 75.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.191 0.52 . . . . 0.0 110.58 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.597 HD12 ' CE2' ' A' ' 6' ' ' PHE . 66.5 mt -92.66 -63.27 1.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.263 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.636 ' O ' ' HB3' ' A' ' 17' ' ' DAL . 82.8 t80 -74.3 -30.74 62.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.415 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . 0.636 ' HB3' ' O ' ' A' ' 16' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.008 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -66.28 -41.98 89.08 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -178.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.548 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -102.95 -35.26 8.64 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.601 0.715 . . . . 0.0 109.685 179.832 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.676 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 94.2 m-85 -99.39 176.44 5.51 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.571 -1.195 . . . . 0.0 108.797 179.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.676 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 3.9 p . . . . . 0 C--N 1.316 -0.884 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.606 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.605 ' C ' ' HB2' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.515 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.515 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 45.3 Cg_exo -54.42 -36.23 87.12 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.754 2.303 . . . . 0.0 112.138 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.24 -28.31 65.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.668 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.605 ' HB2' ' C ' ' A' ' 1' ' ' ABA . 3.0 m -84.45 -16.12 43.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.605 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.678 ' CZ ' HD22 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -57.91 -49.82 75.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.669 -179.553 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . 0.548 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.419 HD13 ' HA ' ' A' ' 8' ' ' ILE . 32.2 mm -66.51 -43.89 90.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.604 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -92.25 -88.01 1.5 Allowed Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.819 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -59.4 -32.65 70.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.834 0.35 . . . . 0.0 110.392 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.639 ' CA ' ' O ' ' A' ' 6' ' ' PHE . . . -37.54 -32.34 0.09 OUTLIER Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.604 HG12 ' O ' ' A' ' 9' ' ' GLY . 14.8 p -61.18 -39.94 84.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.72 0.295 . . . . 0.0 110.308 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.653 ' O ' ' CA ' ' A' ' 17' ' ' DAL . . . -58.27 -48.97 80.34 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.67 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -70.51 -36.0 73.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.012 0.434 . . . . 0.0 110.476 179.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.678 HD22 ' CZ ' ' A' ' 6' ' ' PHE . 11.5 tp -74.31 -66.42 0.73 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.485 ' HA ' ' CE ' ' A' ' 19' ' ' LYS . 4.3 m-85 -95.68 -30.72 13.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.957 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . 0.653 ' CA ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.67 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -68.75 -41.98 78.14 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.014 -178.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.609 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -100.43 -31.78 11.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.465 179.333 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.756 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 96.7 m-85 -105.56 -178.04 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.893 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.756 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 13.8 p . . . . . 0 C--N 1.322 -0.621 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.676 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.608 ' HB3' ' N ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.501 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 44.7 Cg_exo -54.35 -35.99 85.8 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.888 2.392 . . . . 0.0 112.485 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.455 ' O ' ' HG3' ' A' ' 7' ' ' DBU . . . -84.58 -27.23 27.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.846 0.355 . . . . 0.0 110.637 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.608 ' N ' ' HB3' ' A' ' 1' ' ' ABA . 1.3 m -65.8 -31.19 72.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.762 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.624 ' CD2' ' HA3' ' A' ' 11' ' ' GLY . 1.0 OUTLIER -57.62 -48.91 78.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.547 -179.431 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . 0.605 ' O ' ' O ' ' A' ' 6' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.724 ' O ' HG23 ' A' ' 12' ' ' VAL . 11.2 tp -68.18 -41.96 84.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.73 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.518 ' N ' HG23 ' A' ' 8' ' ' ILE . . . -95.02 -41.46 4.04 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.866 HD13 ' C ' ' A' ' 10' ' ' LEU . 3.0 tm? -62.59 -44.48 96.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.779 0.323 . . . . 0.0 110.716 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.624 ' HA3' ' CD2' ' A' ' 6' ' ' PHE . . . -65.97 -37.4 93.17 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 8' ' ' ILE . 42.9 t -60.86 -46.37 96.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.531 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -65.93 -38.51 94.28 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.94 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.97 -39.39 76.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.088 0.47 . . . . 0.0 110.564 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 65.0 mt -93.45 -61.17 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.542 -178.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.603 ' N ' ' O ' ' A' ' 12' ' ' VAL . 75.5 t80 -73.98 -31.71 63.11 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.323 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . 0.589 ' HB3' ' O ' ' A' ' 16' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.94 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -68.73 -38.29 80.08 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.554 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 3.0 mmtp -99.1 -34.92 10.19 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.737 0.779 . . . . 0.0 108.994 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.672 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 3.5 m-85 -106.66 175.63 5.44 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.169 -1.378 . . . . 0.0 108.895 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.672 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 3.6 p . . . . . 0 C--N 1.315 -0.907 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.484 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.596 ' HB3' ' N ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -65.45 -26.02 55.43 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.722 2.281 . . . . 0.0 112.151 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.2 -27.67 21.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.658 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.848 ' O ' HD21 ' A' ' 10' ' ' LEU . 1.6 m -66.22 -30.63 71.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.478 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.636 ' O ' ' O ' ' A' ' 7' ' ' DBU . 12.8 t80 -57.9 -49.06 78.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.843 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . 0.711 ' HG2' HD23 ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.502 HG23 ' N ' ' A' ' 9' ' ' GLY . 20.6 tt -68.38 -41.6 83.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.015 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.502 ' N ' HG23 ' A' ' 8' ' ' ILE . . . -89.81 -46.54 4.21 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.848 HD21 ' O ' ' A' ' 5' ' ' CYS . 0.4 OUTLIER -63.69 -41.76 98.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.662 0.267 . . . . 0.0 110.68 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.612 ' CA ' ' O ' ' A' ' 6' ' ' PHE . . . -64.02 -42.19 98.29 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.619 ' O ' ' N ' ' A' ' 16' ' ' PHE . 2.3 t -60.57 -46.31 95.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.727 -0.389 . . . . 0.0 109.952 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.56 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -64.94 -39.2 96.32 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.046 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.75 -39.43 76.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.193 0.521 . . . . 0.0 110.489 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 60.2 mt -91.65 -62.42 1.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.26 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.626 ' O ' ' HB3' ' A' ' 17' ' ' DAL . 84.4 t80 -74.55 -32.67 62.52 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.236 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . 0.626 ' HB3' ' O ' ' A' ' 16' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.046 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -66.68 -41.09 88.66 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.704 -178.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.629 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -102.59 -34.45 9.09 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.675 0.75 . . . . 0.0 110.207 -179.732 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.718 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 96.5 m-85 -102.52 178.71 4.5 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.44 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.718 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.3 p . . . . . 0 C--N 1.318 -0.778 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.82 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.546 ' O ' ' HG3' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.641 ' HB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.641 ' HD3' ' HB ' ' A' ' 2' ' ' DBU . 32.4 Cg_endo -65.53 -25.02 55.56 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.827 2.352 . . . . 0.0 112.421 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 6' ' ' PHE . . . -107.49 18.51 21.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.006 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.782 ' O ' HD21 ' A' ' 10' ' ' LEU . 33.2 m -34.55 -32.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.621 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.629 ' O ' ' O ' ' A' ' 7' ' ' DBU . 2.4 t80 -59.93 -49.76 76.42 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.642 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . 0.647 ' HG2' HD23 ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.855 ' O ' HG23 ' A' ' 12' ' ' VAL . 93.8 mt -63.26 -44.35 99.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 O-C-N 122.05 -0.406 . . . . 0.0 110.711 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.69 -50.0 5.16 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.827 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -64.54 -41.65 96.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.748 0.309 . . . . 0.0 110.966 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.623 ' CA ' ' O ' ' A' ' 6' ' ' PHE . . . -63.16 -35.57 92.26 Favored Glycine 0 C--O 1.228 -0.257 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 8' ' ' ILE . 25.4 t -60.6 -46.69 95.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.554 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -65.29 -38.49 95.12 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.967 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.68 -39.1 77.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.14 0.495 . . . . 0.0 110.56 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 11' ' ' GLY . 6.4 mt -89.06 -60.7 1.88 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.303 -179.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.651 ' O ' ' HB3' ' A' ' 17' ' ' DAL . 85.1 t80 -74.85 -31.54 61.66 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.093 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . 0.651 ' HB3' ' O ' ' A' ' 16' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.967 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -67.14 -41.83 85.45 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -178.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.625 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -102.54 -34.97 8.91 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.514 0.673 . . . . 0.0 109.613 179.799 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.657 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 94.4 m-85 -99.39 175.83 5.72 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.834 -1.076 . . . . 0.0 108.565 178.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.657 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 3.2 p . . . . . 0 C--N 1.316 -0.867 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.499 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.637 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.637 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 43.4 Cg_exo -54.22 -36.85 87.29 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.715 2.276 . . . . 0.0 112.241 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 1' ' ' ABA . . . -70.93 -28.79 64.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.435 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.622 ' N ' ' HB3' ' A' ' 1' ' ' ABA . 1.4 m -74.06 -36.64 64.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.748 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.666 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -58.23 -49.43 77.13 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.595 -179.73 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . 0.556 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.16 -43.83 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.427 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.91 -98.91 0.44 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.371 -0.691 . . . . 0.0 111.371 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.133 HD13 ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -60.29 -26.84 66.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.747 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 1.133 ' N ' HD13 ' A' ' 10' ' ' LEU . . . -45.99 -26.34 2.04 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 -179.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.61 ' O ' ' N ' ' A' ' 16' ' ' PHE . 7.6 p -60.64 -38.63 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.602 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -62.7 -41.48 99.82 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.15 -39.0 79.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.18 0.514 . . . . 0.0 110.135 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.738 HD23 ' H ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -89.33 -70.67 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.753 -179.872 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.738 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -74.26 -28.45 61.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.392 -179.07 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . 0.924 ' HB3' ' O ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.71 -45.04 72.6 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.969 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.588 ' CD ' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -107.09 -40.71 5.36 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.2 -0.6 . . . . 0.0 112.062 179.482 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.924 ' O ' ' HB3' ' A' ' 17' ' ' DAL . 28.3 m-85 -130.2 121.65 26.63 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.072 -179.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.52 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.521 ' O ' ' HG3' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.627 ' HB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.627 ' HD3' ' HB ' ' A' ' 2' ' ' DBU . 34.0 Cg_endo -65.51 -24.75 56.03 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.748 2.298 . . . . 0.0 112.446 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.545 ' O ' ' N ' ' A' ' 7' ' ' DBU . . . -107.51 18.88 20.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.98 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.544 ' SG ' ' N ' ' A' ' 2' ' ' DBU . 31.1 m -33.98 -36.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.527 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.64 ' O ' ' CA ' ' A' ' 11' ' ' GLY . 0.9 OUTLIER -60.31 -48.89 79.82 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.045 179.745 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . 0.97 ' HG2' HD21 ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 8' ' ' ILE . 31.2 mm -64.54 -43.93 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.366 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.23 -56.36 2.57 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.703 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.97 HD21 ' HG2' ' A' ' 7' ' ' DBU . 3.9 pp -63.47 -33.64 76.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.736 0.303 . . . . 0.0 111.11 -179.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.64 ' CA ' ' O ' ' A' ' 6' ' ' PHE . . . -57.27 -43.1 93.74 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 121.067 -0.587 . . . . 0.0 111.775 -179.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.61 ' O ' ' N ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -63.95 -40.31 88.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.889 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.566 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -64.67 -37.67 94.67 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.027 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.65 -38.8 77.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.152 0.501 . . . . 0.0 110.417 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.547 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 40.9 mt -91.27 -61.12 1.72 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.242 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.634 ' O ' ' HB3' ' A' ' 17' ' ' DAL . 76.5 t80 -74.07 -31.5 62.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.46 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . 0.634 ' HB3' ' O ' ' A' ' 16' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.027 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -66.46 -42.11 88.07 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.595 ' HG2' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -103.24 -35.29 8.5 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.562 0.696 . . . . 0.0 109.506 179.648 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.68 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 93.3 m-85 -98.3 175.87 5.91 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.732 178.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.68 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 5.2 p . . . . . 0 C--N 1.317 -0.824 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.014 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.585 ' HB3' ' N ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -65.07 -26.21 58.14 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.74 2.293 . . . . 0.0 112.211 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.87 -28.01 21.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.589 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.585 ' N ' ' HB3' ' A' ' 1' ' ' ABA . 1.6 m -68.22 -36.58 79.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.531 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.725 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -57.63 -50.14 74.13 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.276 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . 0.54 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.82 -44.11 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.752 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.43 -100.12 0.32 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.107 HD13 ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -61.29 -27.29 68.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.916 0.388 . . . . 0.0 110.604 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 1.107 ' N ' HD13 ' A' ' 10' ' ' LEU . . . -43.64 -24.47 0.44 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 16' ' ' PHE . 7.8 p -63.0 -39.17 84.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.056 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.646 ' O ' ' CA ' ' A' ' 17' ' ' DAL . . . -62.96 -49.37 72.82 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.811 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.22 -41.69 76.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.201 0.524 . . . . 0.0 110.158 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.591 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -72.69 -61.34 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.756 -179.148 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.643 ' CZ ' ' CB ' ' A' ' 20' ' ' PHE . 19.8 t80 -95.95 -31.14 13.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.425 -179.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . 0.646 ' CA ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.811 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -66.31 -41.55 89.54 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -178.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.61 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -101.89 -34.07 9.53 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.737 0.78 . . . . 0.0 109.587 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.7 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 97.5 m-85 -101.73 177.41 4.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.23 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.7 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.2 p . . . . . 0 C--N 1.318 -0.798 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.814 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.664 ' O ' ' HG3' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.664 ' HG3' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -54.4 -36.43 87.53 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.843 2.362 . . . . 0.0 112.081 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 7' ' ' DBU . . . -86.9 -28.55 22.73 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.492 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.626 ' O ' HD21 ' A' ' 10' ' ' LEU . 1.9 m -73.62 -38.4 65.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.344 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.706 ' HE1' HD12 ' A' ' 15' ' ' LEU . 34.1 t80 -59.77 -48.22 82.57 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.713 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . 0.578 ' O ' ' O ' ' A' ' 6' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.98 -44.06 97.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.072 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.482 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -81.05 -57.21 2.87 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.793 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -64.14 -32.75 74.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.855 0.36 . . . . 0.0 110.781 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.631 ' CA ' ' O ' ' A' ' 6' ' ' PHE . . . -57.35 -46.65 91.58 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.636 ' O ' ' N ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -64.39 -42.25 94.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.225 179.753 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.561 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -65.1 -39.67 96.43 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.902 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.77 -37.05 76.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.018 0.437 . . . . 0.0 110.646 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.706 HD12 ' HE1' ' A' ' 6' ' ' PHE . 52.3 mt -95.18 -62.11 1.36 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.034 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.636 ' N ' ' O ' ' A' ' 12' ' ' VAL . 85.9 t80 -74.34 -32.01 62.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.207 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . 0.631 ' HB3' ' O ' ' A' ' 16' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.902 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -68.82 -37.93 79.52 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.389 -178.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.611 ' HG3' ' CD1' ' A' ' 20' ' ' PHE . 2.0 ptpt -102.05 -17.67 15.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.469 0.652 . . . . 0.0 110.222 -178.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.702 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 14.2 m-85 -127.38 178.92 5.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.768 -1.106 . . . . 0.0 109.366 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.702 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 9.8 p . . . . . 0 C--N 1.32 -0.707 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.924 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.842 ' O ' ' HG2' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.842 ' HG2' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.695 ' HD3' ' HB ' ' A' ' 2' ' ' DBU . 56.9 Cg_endo -74.16 -34.31 5.03 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.756 2.304 . . . . 0.0 112.565 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.48 -27.91 65.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.723 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.5 ' SG ' ' N ' ' A' ' 2' ' ' DBU . 0.0 OUTLIER -82.4 -23.0 35.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.484 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.684 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -59.0 -49.83 76.39 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.533 -179.486 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . 0.533 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.401 ' HA ' HD13 ' A' ' 8' ' ' ILE . 31.9 mm -65.2 -44.29 95.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.976 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.5 -106.67 0.09 OUTLIER Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.845 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -60.55 -29.68 69.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.786 0.326 . . . . 0.0 110.187 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.621 ' HA3' ' O ' ' A' ' 6' ' ' PHE . . . -38.64 -20.14 0.01 OUTLIER Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.61 ' N ' ' O ' ' A' ' 10' ' ' LEU . 13.5 p -60.02 -38.01 74.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.645 ' O ' ' CA ' ' A' ' 17' ' ' DAL . . . -57.18 -45.29 92.75 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.579 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.86 -36.06 75.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.95 0.405 . . . . 0.0 110.253 179.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.633 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 18.0 tp -74.21 -66.15 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.202 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.62 ' CD2' ' HE3' ' A' ' 19' ' ' LYS . 5.6 m-85 -96.1 -30.27 13.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.091 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . 0.645 ' CA ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -68.24 -40.8 81.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.486 -179.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.62 ' HE3' ' CD2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -101.01 -23.79 14.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.203 0.525 . . . . 0.0 110.129 -179.532 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.751 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 14.4 m-30 -116.65 -178.55 3.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.681 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.751 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 14.0 p . . . . . 0 C--N 1.321 -0.661 0 CA-C-O 117.919 -1.038 . . . . 0.0 110.929 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.46 ' HB3' ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.629 ' HB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.629 ' HD3' ' HB ' ' A' ' 2' ' ' DBU . 38.3 Cg_endo -67.7 -28.7 36.92 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.829 2.353 . . . . 0.0 112.408 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 7' ' ' DBU . . . -107.36 18.51 21.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.607 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.567 ' SG ' ' N ' ' A' ' 2' ' ' DBU . 12.2 m -29.56 -50.14 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.546 -178.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.92 ' CE1' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -60.46 -49.72 76.45 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.221 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . 0.585 ' N ' ' O ' ' A' ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.453 HD13 ' HA ' ' A' ' 8' ' ' ILE . 31.4 mm -64.64 -43.93 96.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.901 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.57 -93.76 0.43 Allowed Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.953 HD13 ' C ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -61.88 -41.32 97.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.769 0.318 . . . . 0.0 110.461 179.653 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.726 ' N ' HD13 ' A' ' 10' ' ' LEU . . . -30.81 -28.22 0.01 OUTLIER Glycine 0 CA--C 1.523 0.57 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.386 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.679 HG22 ' HB3' ' A' ' 16' ' ' PHE . 10.3 p -58.39 -45.03 89.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.599 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -65.54 -31.38 79.97 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.81 85.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 111.072 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.92 HD22 ' CE1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -102.96 -47.74 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.494 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.834 ' H ' HD23 ' A' ' 15' ' ' LEU . 11.2 t80 -77.33 -32.07 54.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.599 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . 0.951 ' HB3' ' O ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.55 ' HB3' ' HD3' ' A' ' 19' ' ' LYS . . . -69.13 -45.54 69.86 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.376 -0.53 . . . . 0.0 111.437 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.55 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -106.94 -40.79 5.37 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.309 -0.557 . . . . 0.0 111.93 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.951 ' O ' ' HB3' ' A' ' 17' ' ' DAL . 24.2 m-85 -129.92 123.21 30.16 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.654 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.409 ' HA ' ' HB2' ' A' ' 17' ' ' DAL . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.547 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.483 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.77 ' O ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.77 ' C ' ' O ' ' A' ' 1' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -80.35 -24.53 5.36 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.917 2.411 . . . . 0.0 112.348 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.5 -32.55 70.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.91 0.386 . . . . 0.0 111.188 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.618 ' HB2' ' O ' ' A' ' 1' ' ' ABA . 11.5 m -77.4 -34.48 54.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.366 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.676 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -58.52 -49.21 78.2 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.468 -179.586 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . 0.541 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 8' ' ' ILE . 32.3 mm -65.24 -44.06 95.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.69 -102.08 0.12 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.852 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -61.47 -33.07 73.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.743 0.306 . . . . 0.0 110.394 -179.848 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.64 ' HA3' ' O ' ' A' ' 6' ' ' PHE . . . -36.79 -22.54 0.01 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.612 ' N ' ' O ' ' A' ' 10' ' ' LEU . 14.5 p -61.27 -40.43 86.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.607 ' O ' ' HA ' ' A' ' 17' ' ' DAL . . . -57.41 -44.94 93.42 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.87 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -69.92 -36.49 75.39 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.432 -0.452 . . . . 0.0 110.515 179.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.625 ' HB3' ' CE1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -84.86 -69.06 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.793 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.61 ' HB3' HG22 ' A' ' 12' ' ' VAL . 41.3 t80 -76.68 -31.8 57.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.99 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . 0.607 ' HA ' ' O ' ' A' ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.87 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -67.71 -41.96 82.72 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.272 -179.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.574 ' CG ' ' CD1' ' A' ' 20' ' ' PHE . 0.5 OUTLIER -101.45 -33.31 10.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.195 0.521 . . . . 0.0 110.405 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.738 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 97.1 m-85 -103.64 -177.99 3.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.857 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.738 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 13.7 p . . . . . 0 C--N 1.321 -0.642 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.837 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ABA . . . . . 0.507 ' C ' ' HB2' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.496 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' A' ' 2' ' ' DBU . 41.7 Cg_exo -54.49 -36.54 88.57 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.711 2.274 . . . . 0.0 112.297 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.79 -29.37 65.54 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.492 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.507 ' HB2' ' C ' ' A' ' 1' ' ' ABA . 3.9 m -80.48 -33.43 36.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.535 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.74 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -57.77 -50.37 73.48 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.458 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . 0.556 ' O ' ' HA3' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 8' ' ' ILE . 30.9 mm -65.43 -43.81 94.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.651 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.06 -100.06 0.29 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.121 HD13 ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -60.54 -26.67 67.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.886 0.374 . . . . 0.0 110.667 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 1.121 ' N ' HD13 ' A' ' 10' ' ' LEU . . . -45.56 -24.62 1.16 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.644 HG23 ' CD1' ' A' ' 16' ' ' PHE . 8.9 p -62.18 -40.99 89.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.626 ' O ' ' CA ' ' A' ' 17' ' ' DAL . . . -64.59 -49.06 66.62 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.462 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -69.65 -40.74 76.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.15 0.5 . . . . 0.0 110.263 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.558 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -69.67 -67.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.473 -179.503 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.644 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -95.79 -29.9 13.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.009 -179.283 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . 0.637 ' O ' ' O ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . -69.42 -37.96 77.69 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.241 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -101.82 -16.68 16.51 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.634 0.73 . . . . 0.0 109.825 -179.358 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.692 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 2.0 m-85 -126.93 177.23 6.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.456 -1.247 . . . . 0.0 108.998 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.692 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 8.9 p . . . . . 0 C--N 1.315 -0.921 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.903 179.646 . . . . . . . . 1 1 . 1 stop_ save_