data_5u9v_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5u9v _Structure_validation_residue.Date_analyzed 2017-03-24 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 full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.3 t -52.13 -61.13 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.76 0.314 . . . . 0.0 110.445 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.0 t -52.48 -34.72 19.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.564 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -69.71 -43.52 72.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 56.9 mt -51.79 -33.99 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.501 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mt -63.31 -47.16 83.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.111 0.481 . . . . 0.0 110.178 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.441 ' H ' ' HG2' ' A' ' 7' ' ' LYS . 8.5 mmtt -58.63 -54.61 45.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.257 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.11 -26.45 12.37 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.31 -31.55 60.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.847 0.355 . . . . 0.0 110.481 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.38 -39.0 75.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.695 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -61.56 -47.69 84.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.723 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -59.16 -42.43 90.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.387 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.525 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 60.4 mt -69.42 -53.6 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.434 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.39 -21.65 10.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.577 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.95 -60.6 7.82 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 24.9 p80 -67.68 -20.19 65.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.757 0.313 . . . . 0.0 110.691 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.417 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -73.28 -62.11 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.217 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.11 -16.54 5.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.551 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 16' ' ' HIS . 14.6 p -65.28 -42.03 93.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.672 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -29.34 65.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.094 0.473 . . . . 0.0 110.23 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.1 t -67.58 -16.68 21.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.602 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.451 ' SD ' ' C ' ' A' ' 22' ' ' MET . 2.0 tmt? -82.65 -61.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.488 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 120.071 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.1 t -52.35 -60.95 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 110.486 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.6 t -52.04 -34.74 17.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.685 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.67 -43.9 71.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.806 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 61.8 mt -51.94 -34.04 16.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.697 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mt -62.72 -49.64 74.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.139 0.495 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.425 ' H ' ' HG2' ' A' ' 7' ' ' LYS . 11.7 mmtt -51.71 -52.46 48.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.383 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.04 -25.47 7.67 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.18 -34.49 61.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.736 0.303 . . . . 0.0 110.582 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.17 -40.06 70.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.628 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -61.74 -49.38 76.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.729 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -60.13 -46.67 88.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.543 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.522 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 57.4 mt -65.86 -53.6 36.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.505 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.64 -21.55 62.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.552 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.38 -54.74 34.74 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 15.1 p80 -70.51 -18.12 62.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.73 0.3 . . . . 0.0 110.756 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.427 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -72.96 -63.31 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.21 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.44 -13.79 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.623 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 22.9 p -56.1 -38.12 70.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.673 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.24 -28.68 31.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.274 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 t -83.02 -15.84 11.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.835 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.2 ttt -122.75 -33.93 3.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.548 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . 0.504 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.02 -1.675 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.8 t -53.36 -61.16 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.435 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.8 t -52.3 -35.28 19.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.766 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -69.67 -43.79 71.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.4 HG22 HD13 ' A' ' 5' ' ' ILE . 50.6 mt -51.76 -32.41 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.622 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.7 mt -64.51 -49.37 71.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.16 0.505 . . . . 0.0 110.208 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.415 ' H ' ' HG2' ' A' ' 7' ' ' LYS . 12.1 mmtt -52.2 -54.52 29.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.09 -25.33 7.62 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.37 61.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.805 0.336 . . . . 0.0 110.608 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.17 71.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -57.5 -39.2 75.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.782 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -70.93 -46.1 63.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.507 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.421 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 53.9 mt -65.68 -53.77 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.441 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.15 -21.4 46.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.603 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.82 -59.96 9.88 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.428 ' O ' ' OG ' ' A' ' 19' ' ' SER . 15.9 p80 -66.63 -16.77 64.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.744 0.307 . . . . 0.0 110.814 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.41 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -74.62 -62.73 1.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.186 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.37 -17.18 41.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.462 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 16' ' ' HIS . 31.2 p -59.17 -30.63 68.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.533 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -28.0 59.06 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.962 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.9 t -88.17 -18.08 8.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.472 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.8 tpp -89.42 -72.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.582 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 120.046 -1.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.8 t -52.22 -61.18 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.445 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.1 t -52.6 -35.08 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.628 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -69.63 -43.42 72.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.797 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 55.6 mt -51.75 -32.92 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.521 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mt -64.67 -47.32 78.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.174 0.512 . . . . 0.0 110.159 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.42 ' H ' ' HG2' ' A' ' 7' ' ' LYS . 9.0 mmtt -58.75 -54.59 45.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.233 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.94 -27.08 12.44 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.16 -35.13 61.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.845 0.355 . . . . 0.0 110.54 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.6 -32.39 67.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.483 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -65.79 -41.69 91.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.732 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -75.5 -51.21 13.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.56 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 56.6 mt -56.2 -53.64 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.567 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.68 -21.54 1.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.583 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.2 -60.4 8.99 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.434 ' O ' ' OG ' ' A' ' 19' ' ' SER . 17.9 p80 -69.77 -20.15 63.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 110.776 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.407 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -69.99 -61.98 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.108 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.52 -15.83 1.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.527 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 16' ' ' HIS . 6.4 p -63.66 -37.28 86.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.595 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -29.71 64.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.003 0.43 . . . . 0.0 110.161 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.7 t -66.63 -16.78 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.587 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.6 tpp -123.97 -59.46 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . 0.423 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 120.067 -1.646 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.0 t -52.7 -61.28 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 110.42 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.5 t -52.44 -34.74 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.586 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -69.61 -44.21 71.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.404 HD13 HG23 ' A' ' 5' ' ' ILE . 53.3 mt -52.05 -34.72 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.75 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.5 mt -60.87 -48.99 79.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.129 0.49 . . . . 0.0 110.044 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.453 ' HG2' ' H ' ' A' ' 7' ' ' LYS . 8.7 mmtt -52.44 -48.02 66.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.141 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.08 -25.3 7.54 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.13 -42.41 56.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.784 0.326 . . . . 0.0 110.493 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.71 -32.34 65.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.628 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -66.92 -52.35 44.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -61.43 -54.07 48.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.527 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.8 mt -53.39 -53.58 23.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.508 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.6 -21.78 61.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.65 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -64.16 -60.24 7.43 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.421 ' O ' ' OG ' ' A' ' 19' ' ' SER . 19.2 p80 -66.49 -15.48 63.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.738 0.304 . . . . 0.0 110.699 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.407 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -72.46 -62.87 1.29 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.259 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.78 -16.11 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.629 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 16' ' ' HIS . 11.6 p -61.81 -44.23 97.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.66 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -29.11 65.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.023 0.44 . . . . 0.0 110.367 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.4 t -71.77 -16.96 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.658 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.5 ttm -105.29 -56.19 2.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.53 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.395 0 O-C-N 120.083 -1.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.6 t -53.1 -61.49 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.421 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.0 t -52.62 -35.62 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.805 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -69.51 -42.5 74.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 50.3 mt -53.54 -38.0 32.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.701 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 mt -57.28 -48.46 78.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.036 0.445 . . . . 0.0 110.187 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.443 ' H ' ' HG2' ' A' ' 7' ' ' LYS . 11.5 mmtt -51.83 -50.76 60.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.105 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.18 -25.25 7.72 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.73 -36.8 62.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.795 0.331 . . . . 0.0 110.657 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.96 -45.48 74.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.603 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -59.17 -38.53 80.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.743 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -71.55 -52.81 16.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.702 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.489 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 61.6 mt -53.16 -53.79 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.509 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.01 -21.6 0.71 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.91 -60.98 7.58 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.489 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 21.3 p80 -64.53 -22.6 67.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 110.567 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.42 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -68.69 -62.34 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.106 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.91 -14.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.564 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.3 p -57.89 -44.66 86.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.59 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -29.83 67.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.984 0.421 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.13 -16.83 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.685 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.444 ' SD ' ' C ' ' A' ' 22' ' ' MET . 1.3 tmt? -87.28 -62.0 1.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.534 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 120.045 -1.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.8 t -52.38 -61.45 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 110.434 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.7 t -54.09 -34.91 27.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.658 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -69.55 -43.52 72.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.952 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.4 HD13 HG23 ' A' ' 5' ' ' ILE . 46.2 mt -52.0 -33.1 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.576 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mt -63.6 -49.92 71.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.047 0.451 . . . . 0.0 110.158 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.471 ' H ' ' HG2' ' A' ' 7' ' ' LYS . 8.1 mmtt -53.39 -52.36 59.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.28 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.07 -26.5 8.95 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.32 -34.8 61.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.823 0.344 . . . . 0.0 110.37 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.08 -32.06 61.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.522 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -66.75 -52.62 42.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.566 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -60.03 -52.44 65.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.347 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 54.7 mt -53.1 -53.42 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.335 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.1 -21.51 46.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.632 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.8 -60.75 7.6 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.477 ' ND1' ' C ' ' A' ' 16' ' ' HIS . 6.2 p80 -62.71 -15.15 51.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.705 0.288 . . . . 0.0 110.761 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.421 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -69.25 -63.44 1.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.249 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.86 -20.16 48.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.543 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 16' ' ' HIS . 19.5 p -69.48 -42.33 74.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.662 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -29.17 65.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.176 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.0 t -70.99 -16.87 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.633 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.8 ttt -84.35 -72.24 0.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.543 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 120.09 -1.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.4 t -52.1 -60.66 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.372 . . . . 0.0 110.455 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.0 t -52.21 -34.51 18.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.497 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -69.77 -43.51 72.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.786 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 61.6 mt -51.82 -34.96 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.502 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.89 -47.51 84.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.034 0.445 . . . . 0.0 110.129 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.423 ' H ' ' HG2' ' A' ' 7' ' ' LYS . 9.9 mmtt -58.22 -54.52 46.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.223 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.37 -25.64 12.85 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.17 -32.76 61.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.811 0.339 . . . . 0.0 110.49 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.41 -32.04 72.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.485 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.4 tttp -57.27 -43.4 83.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.715 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.95 -53.46 20.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.445 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.514 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 54.0 mt -59.12 -53.69 44.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.494 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.02 -21.62 63.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.61 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.2 -60.43 8.62 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.514 ' CE1' ' O ' ' A' ' 13' ' ' ILE . 3.5 p80 -67.6 -15.66 63.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.641 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.414 ' N ' ' ND1' ' A' ' 16' ' ' HIS . 0.5 OUTLIER -75.72 -62.6 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.234 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.53 -16.61 16.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.495 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.53 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 28.8 p -58.4 -34.24 70.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -29.1 63.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.191 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.6 t -76.98 -15.84 14.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.746 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 28.5 ttp -124.55 -7.95 7.44 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.543 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . 0.53 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 120.064 -1.648 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.0 t -52.38 -61.13 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.783 0.325 . . . . 0.0 110.398 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.6 t -52.3 -35.47 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.776 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -69.63 -43.7 72.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.82 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 55.7 mt -51.93 -36.97 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.619 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.48 -51.42 69.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.106 0.479 . . . . 0.0 110.215 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.456 ' H ' ' HG2' ' A' ' 7' ' ' LYS . 9.1 mmtt -51.86 -47.05 64.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.141 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.99 -25.31 7.34 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.08 -44.5 47.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.834 0.35 . . . . 0.0 110.487 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.2 -32.8 69.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.524 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -59.24 -43.25 92.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.762 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -66.19 -46.58 76.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.582 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.416 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 56.4 mt -65.17 -53.56 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.464 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.52 -21.71 65.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.582 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.69 -60.04 9.72 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.416 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 22.7 p80 -68.2 -16.05 63.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.737 0.303 . . . . 0.0 110.545 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.24 -61.15 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.212 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.17 -18.17 1.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.553 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.5 p -67.21 -45.32 77.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.541 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.444 ' CB ' ' HZ1' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -69.54 -28.77 66.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.186 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.6 t -68.37 -16.51 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.814 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.1 ttt -109.38 -56.58 2.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.508 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 120.016 -1.678 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.4 t -52.39 -61.34 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.475 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.5 t -52.59 -35.41 20.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.659 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -69.66 -43.96 71.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.421 HG22 HD11 ' A' ' 5' ' ' ILE . 53.6 mt -52.03 -37.33 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.586 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.5 mt -57.97 -50.12 74.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.034 0.445 . . . . 0.0 110.143 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -52.77 -54.63 31.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.13 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.21 -26.01 12.32 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.32 -32.57 60.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.824 0.345 . . . . 0.0 110.523 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.65 -32.99 74.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.566 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -62.62 -45.33 93.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.669 179.83 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -65.57 -50.64 64.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.579 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.534 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 57.5 mt -61.26 -53.66 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.404 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.05 -21.36 61.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.355 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -56.77 -55.85 27.86 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.534 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 18.5 p80 -71.87 -25.08 61.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 110.816 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.407 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -75.66 -59.41 2.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.128 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.7 -16.83 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.59 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.6 p -61.19 -45.98 92.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.451 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.64 -29.21 63.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.148 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.8 t -78.15 -16.57 13.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.533 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 14.9 ttm -65.11 -65.48 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.5 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 120.101 -1.624 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.3 t -52.13 -61.13 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.76 0.314 . . . . 0.0 110.445 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.0 t -52.48 -34.72 19.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.564 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -69.71 -43.52 72.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 56.9 mt -51.79 -33.99 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.501 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.483 HD23 ' N ' ' A' ' 6' ' ' LEU . 4.9 mt -63.31 -47.16 83.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.111 0.481 . . . . 0.0 110.178 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.493 ' HG2' ' H ' ' A' ' 7' ' ' LYS . 8.5 mmtt -58.63 -54.61 45.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.257 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.11 -26.45 12.37 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -75.31 -31.55 60.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.847 0.355 . . . . 0.0 110.481 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.38 -39.0 75.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.695 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -61.56 -47.69 84.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.723 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -59.16 -42.43 90.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.387 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.525 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 60.4 mt -69.42 -53.6 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.434 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.39 -21.65 10.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.577 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.95 -60.6 7.82 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 24.9 p80 -67.68 -20.19 65.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.757 0.313 . . . . 0.0 110.691 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.534 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -73.28 -62.11 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.217 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.11 -16.54 5.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.551 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 p -65.28 -42.03 93.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.672 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -29.34 65.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.094 0.473 . . . . 0.0 110.23 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.1 t -67.58 -16.68 21.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.602 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.451 ' SD ' ' C ' ' A' ' 22' ' ' MET . 2.0 tmt? -82.65 -61.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.488 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 120.071 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.1 t -52.35 -60.95 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 110.486 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.6 t -52.04 -34.74 17.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.685 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.67 -43.9 71.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.806 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 61.8 mt -51.94 -34.04 16.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.697 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.489 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 4.9 mt -62.72 -49.64 74.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.139 0.495 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.485 ' H ' ' HG2' ' A' ' 7' ' ' LYS . 11.7 mmtt -51.71 -52.46 48.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.383 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.04 -25.47 7.67 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -75.18 -34.49 61.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.736 0.303 . . . . 0.0 110.582 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.17 -40.06 70.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.628 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -61.74 -49.38 76.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.729 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -60.13 -46.67 88.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.543 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.522 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 57.4 mt -65.86 -53.6 36.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.505 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.64 -21.55 62.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.552 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.38 -54.74 34.74 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 15.1 p80 -70.51 -18.12 62.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.73 0.3 . . . . 0.0 110.756 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.553 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -72.96 -63.31 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.21 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.44 -13.79 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.623 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 22.9 p -56.1 -38.12 70.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.673 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.24 -28.68 31.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.274 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 t -83.02 -15.84 11.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.835 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.2 ttt -122.75 -33.93 3.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.548 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . 0.504 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.02 -1.675 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.8 t -53.36 -61.16 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.435 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.8 t -52.3 -35.28 19.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.766 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -69.67 -43.79 71.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 50.6 mt -51.76 -32.41 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.622 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.519 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 4.7 mt -64.51 -49.37 71.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.16 0.505 . . . . 0.0 110.208 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.512 ' HG2' ' H ' ' A' ' 7' ' ' LYS . 12.1 mmtt -52.2 -54.52 29.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.09 -25.33 7.62 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -74.94 -31.37 61.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.805 0.336 . . . . 0.0 110.608 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.17 71.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -57.5 -39.2 75.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.782 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -70.93 -46.1 63.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.507 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.421 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 53.9 mt -65.68 -53.77 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.441 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.15 -21.4 46.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.603 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.82 -59.96 9.88 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.421 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 15.9 p80 -66.63 -16.77 64.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.744 0.307 . . . . 0.0 110.814 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.523 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -74.62 -62.73 1.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.186 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.37 -17.18 41.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.462 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.2 p -59.17 -30.63 68.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.533 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -28.0 59.06 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.962 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.9 t -88.17 -18.08 8.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.472 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.8 tpp -89.42 -72.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.582 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 120.046 -1.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.8 t -52.22 -61.18 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.445 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.1 t -52.6 -35.08 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.628 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -69.63 -43.42 72.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.797 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 55.6 mt -51.75 -32.92 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.521 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.495 HD23 ' N ' ' A' ' 6' ' ' LEU . 4.4 mt -64.67 -47.32 78.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.174 0.512 . . . . 0.0 110.159 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HG2' ' H ' ' A' ' 7' ' ' LYS . 9.0 mmtt -58.75 -54.59 45.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.233 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.94 -27.08 12.44 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -75.16 -35.13 61.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.845 0.355 . . . . 0.0 110.54 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.6 -32.39 67.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.483 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -65.79 -41.69 91.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.732 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -75.5 -51.21 13.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.56 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 56.6 mt -56.2 -53.64 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.567 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.68 -21.54 1.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.583 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.2 -60.4 8.99 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -69.77 -20.15 63.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 110.776 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.52 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -69.99 -61.98 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.108 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.52 -15.83 1.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.527 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 6.4 p -63.66 -37.28 86.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.595 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -29.71 64.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.003 0.43 . . . . 0.0 110.161 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.7 t -66.63 -16.78 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.587 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.6 tpp -123.97 -59.46 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 120.067 -1.646 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.0 t -52.7 -61.28 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 110.42 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.5 t -52.44 -34.74 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.586 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -69.61 -44.21 71.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 53.3 mt -52.05 -34.72 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.75 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.481 HD23 ' N ' ' A' ' 6' ' ' LEU . 5.5 mt -60.87 -48.99 79.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.129 0.49 . . . . 0.0 110.044 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.513 ' HG2' ' H ' ' A' ' 7' ' ' LYS . 8.7 mmtt -52.44 -48.02 66.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.141 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.08 -25.3 7.54 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -75.13 -42.41 56.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.784 0.326 . . . . 0.0 110.493 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.71 -32.34 65.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.628 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -66.92 -52.35 44.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -61.43 -54.07 48.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.527 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.8 mt -53.39 -53.58 23.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.508 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.6 -21.78 61.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.65 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -64.16 -60.24 7.43 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -66.49 -15.48 63.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.738 0.304 . . . . 0.0 110.699 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.51 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -72.46 -62.87 1.29 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.259 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.78 -16.11 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.629 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 p -61.81 -44.23 97.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.66 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -29.11 65.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.023 0.44 . . . . 0.0 110.367 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.4 t -71.77 -16.96 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.658 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.5 ttm -105.29 -56.19 2.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.53 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.395 0 O-C-N 120.083 -1.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.6 t -53.1 -61.49 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.421 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.0 t -52.62 -35.62 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.805 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -69.51 -42.5 74.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 50.3 mt -53.54 -38.0 32.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.701 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.492 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.6 mt -57.28 -48.46 78.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.036 0.445 . . . . 0.0 110.187 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.538 ' HG2' ' H ' ' A' ' 7' ' ' LYS . 11.5 mmtt -51.83 -50.76 60.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.105 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.18 -25.25 7.72 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -74.73 -36.8 62.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.795 0.331 . . . . 0.0 110.657 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.96 -45.48 74.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.603 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -59.17 -38.53 80.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.743 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -71.55 -52.81 16.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.702 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.489 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 61.6 mt -53.16 -53.79 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.509 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.01 -21.6 0.71 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.91 -60.98 7.58 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.489 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 21.3 p80 -64.53 -22.6 67.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 110.567 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.55 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -68.69 -62.34 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.106 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.91 -14.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.564 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.3 p -57.89 -44.66 86.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.59 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -29.83 67.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.984 0.421 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.13 -16.83 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.685 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.444 ' SD ' ' C ' ' A' ' 22' ' ' MET . 1.3 tmt? -87.28 -62.0 1.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.534 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 120.045 -1.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.8 t -52.38 -61.45 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 110.434 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.7 t -54.09 -34.91 27.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.658 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -69.55 -43.52 72.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.952 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 46.2 mt -52.0 -33.1 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.576 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.501 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.0 mt -63.6 -49.92 71.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.047 0.451 . . . . 0.0 110.158 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.417 ' HG2' ' H ' ' A' ' 7' ' ' LYS . 8.1 mmtt -53.39 -52.36 59.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.28 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.07 -26.5 8.95 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -75.32 -34.8 61.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.823 0.344 . . . . 0.0 110.37 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.08 -32.06 61.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.522 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -66.75 -52.62 42.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.566 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -60.03 -52.44 65.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.347 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 54.7 mt -53.1 -53.42 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.335 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.1 -21.51 46.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.632 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.8 -60.75 7.6 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.477 ' ND1' ' C ' ' A' ' 16' ' ' HIS . 6.2 p80 -62.71 -15.15 51.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.705 0.288 . . . . 0.0 110.761 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.557 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -69.25 -63.44 1.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.249 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.86 -20.16 48.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.543 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.5 p -69.48 -42.33 74.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.662 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -29.17 65.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.176 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.0 t -70.99 -16.87 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.633 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.8 ttt -84.35 -72.24 0.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.543 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 120.09 -1.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.4 t -52.1 -60.66 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.372 . . . . 0.0 110.455 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.0 t -52.21 -34.51 18.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.497 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -69.77 -43.51 72.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.786 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 61.6 mt -51.82 -34.96 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.502 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.482 HD23 ' N ' ' A' ' 6' ' ' LEU . 5.2 mt -61.89 -47.51 84.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.034 0.445 . . . . 0.0 110.129 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.446 ' H ' ' HG2' ' A' ' 7' ' ' LYS . 9.9 mmtt -58.22 -54.52 46.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.223 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.37 -25.64 12.85 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -75.17 -32.76 61.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.811 0.339 . . . . 0.0 110.49 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.41 -32.04 72.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.485 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.4 tttp -57.27 -43.4 83.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.715 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.95 -53.46 20.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.445 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.514 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 54.0 mt -59.12 -53.69 44.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.494 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.02 -21.62 63.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.61 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.2 -60.43 8.62 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.514 ' CE1' ' O ' ' A' ' 13' ' ' ILE . 3.5 p80 -67.6 -15.66 63.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.641 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.523 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -75.72 -62.6 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.234 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.53 -16.61 16.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.495 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.53 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 28.8 p -58.4 -34.24 70.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -29.1 63.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.191 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.404 ' O ' HG12 ' A' ' 21' ' ' VAL . 93.6 t -76.98 -15.84 14.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.746 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 28.5 ttp -124.55 -7.95 7.44 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.543 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . 0.53 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 120.064 -1.648 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.0 t -52.38 -61.13 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.783 0.325 . . . . 0.0 110.398 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.6 t -52.3 -35.47 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.776 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -69.63 -43.7 72.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.82 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 55.7 mt -51.93 -36.97 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.619 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.482 HD23 ' N ' ' A' ' 6' ' ' LEU . 5.4 mt -58.48 -51.42 69.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.106 0.479 . . . . 0.0 110.215 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.5 ' HG2' ' H ' ' A' ' 7' ' ' LYS . 9.1 mmtt -51.86 -47.05 64.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.141 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.99 -25.31 7.34 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -75.08 -44.5 47.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.834 0.35 . . . . 0.0 110.487 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.2 -32.8 69.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.524 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -59.24 -43.25 92.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.762 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -66.19 -46.58 76.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.582 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.416 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 56.4 mt -65.17 -53.56 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.464 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.52 -21.71 65.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.582 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.69 -60.04 9.72 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.416 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 22.7 p80 -68.2 -16.05 63.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.737 0.303 . . . . 0.0 110.545 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.518 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -78.24 -61.15 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.212 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.17 -18.17 1.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.553 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.5 p -67.21 -45.32 77.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.541 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -28.77 66.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.186 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.6 t -68.37 -16.51 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.814 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.1 ttt -109.38 -56.58 2.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.508 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 120.016 -1.678 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.4 t -52.39 -61.34 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.475 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.5 t -52.59 -35.41 20.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.659 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -69.66 -43.96 71.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 53.6 mt -52.03 -37.33 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.586 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.485 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.5 mt -57.97 -50.12 74.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.034 0.445 . . . . 0.0 110.143 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.438 ' H ' ' HG2' ' A' ' 7' ' ' LYS . 10.2 mmtt -52.77 -54.63 31.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.13 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.21 -26.01 12.32 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -75.32 -32.57 60.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.824 0.345 . . . . 0.0 110.523 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.65 -32.99 74.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.566 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -62.62 -45.33 93.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.669 179.83 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -65.57 -50.64 64.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.579 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.534 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 57.5 mt -61.26 -53.66 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.404 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.05 -21.36 61.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.355 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -56.77 -55.85 27.86 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.534 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 18.5 p80 -71.87 -25.08 61.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 110.816 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.527 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -75.66 -59.41 2.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.128 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.7 -16.83 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.59 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.6 p -61.19 -45.98 92.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.451 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.64 -29.21 63.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.148 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.8 t -78.15 -16.57 13.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.533 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 14.9 ttm -65.11 -65.48 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.5 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 120.101 -1.624 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.3 t -52.13 -61.13 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.76 0.314 . . . . 0.0 110.445 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.0 t -52.48 -34.72 19.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.564 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -69.71 -43.52 72.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 56.9 mt -51.79 -33.99 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.501 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.483 HD23 ' N ' ' A' ' 6' ' ' LEU . 4.9 mt -63.31 -47.16 83.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.111 0.481 . . . . 0.0 110.178 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.493 ' HG2' ' H ' ' A' ' 7' ' ' LYS . 8.5 mmtt -58.63 -54.61 45.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.257 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.11 -26.45 12.37 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -75.31 -31.55 60.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.847 0.355 . . . . 0.0 110.481 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.38 -39.0 75.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.695 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -61.56 -47.69 84.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.723 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -59.16 -42.43 90.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.387 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.525 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 60.4 mt -69.42 -53.6 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.434 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.39 -21.65 10.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.577 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.95 -60.6 7.82 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 24.9 p80 -67.68 -20.19 65.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.757 0.313 . . . . 0.0 110.691 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.534 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -73.28 -62.11 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.217 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.11 -16.54 5.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.551 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 p -65.28 -42.03 93.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.672 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -29.34 65.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.094 0.473 . . . . 0.0 110.23 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.1 t -67.58 -16.68 21.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.602 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.451 ' SD ' ' C ' ' A' ' 22' ' ' MET . 2.0 tmt? -82.65 -61.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.488 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 120.071 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.1 t -52.35 -60.95 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 110.486 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.6 t -52.04 -34.74 17.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.685 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.67 -43.9 71.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.806 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 61.8 mt -51.94 -34.04 16.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.697 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.489 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 4.9 mt -62.72 -49.64 74.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.139 0.495 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.485 ' H ' ' HG2' ' A' ' 7' ' ' LYS . 11.7 mmtt -51.71 -52.46 48.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.383 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.04 -25.47 7.67 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -75.18 -34.49 61.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.736 0.303 . . . . 0.0 110.582 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.17 -40.06 70.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.628 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -61.74 -49.38 76.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.729 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -60.13 -46.67 88.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.543 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.522 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 57.4 mt -65.86 -53.6 36.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.505 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.64 -21.55 62.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.552 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.38 -54.74 34.74 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 15.1 p80 -70.51 -18.12 62.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.73 0.3 . . . . 0.0 110.756 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.553 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -72.96 -63.31 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.21 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.44 -13.79 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.623 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 22.9 p -56.1 -38.12 70.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.673 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.24 -28.68 31.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.274 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 t -83.02 -15.84 11.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.835 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.2 ttt -122.75 -33.93 3.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.548 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . 0.504 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.02 -1.675 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.8 t -53.36 -61.16 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.435 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.8 t -52.3 -35.28 19.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.766 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -69.67 -43.79 71.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 50.6 mt -51.76 -32.41 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.622 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.519 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 4.7 mt -64.51 -49.37 71.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.16 0.505 . . . . 0.0 110.208 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.512 ' HG2' ' H ' ' A' ' 7' ' ' LYS . 12.1 mmtt -52.2 -54.52 29.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.09 -25.33 7.62 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -74.94 -31.37 61.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.805 0.336 . . . . 0.0 110.608 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.17 71.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -57.5 -39.2 75.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.782 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -70.93 -46.1 63.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.507 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.421 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 53.9 mt -65.68 -53.77 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.441 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.15 -21.4 46.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.603 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.82 -59.96 9.88 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.421 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 15.9 p80 -66.63 -16.77 64.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.744 0.307 . . . . 0.0 110.814 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.523 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -74.62 -62.73 1.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.186 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.37 -17.18 41.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.462 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.2 p -59.17 -30.63 68.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.533 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -28.0 59.06 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.962 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.9 t -88.17 -18.08 8.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.472 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.8 tpp -89.42 -72.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.582 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 120.046 -1.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.8 t -52.22 -61.18 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.445 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.1 t -52.6 -35.08 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.628 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -69.63 -43.42 72.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.797 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 55.6 mt -51.75 -32.92 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.521 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.495 HD23 ' N ' ' A' ' 6' ' ' LEU . 4.4 mt -64.67 -47.32 78.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.174 0.512 . . . . 0.0 110.159 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HG2' ' H ' ' A' ' 7' ' ' LYS . 9.0 mmtt -58.75 -54.59 45.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.233 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.94 -27.08 12.44 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -75.16 -35.13 61.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.845 0.355 . . . . 0.0 110.54 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.6 -32.39 67.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.483 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -65.79 -41.69 91.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.732 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -75.5 -51.21 13.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.56 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 56.6 mt -56.2 -53.64 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.567 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.68 -21.54 1.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.583 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.2 -60.4 8.99 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -69.77 -20.15 63.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 110.776 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.52 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -69.99 -61.98 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.108 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.52 -15.83 1.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.527 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 6.4 p -63.66 -37.28 86.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.595 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -29.71 64.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.003 0.43 . . . . 0.0 110.161 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.7 t -66.63 -16.78 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.587 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.6 tpp -123.97 -59.46 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 120.067 -1.646 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.0 t -52.7 -61.28 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 110.42 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.5 t -52.44 -34.74 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.586 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -69.61 -44.21 71.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 53.3 mt -52.05 -34.72 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.75 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.481 HD23 ' N ' ' A' ' 6' ' ' LEU . 5.5 mt -60.87 -48.99 79.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.129 0.49 . . . . 0.0 110.044 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.513 ' HG2' ' H ' ' A' ' 7' ' ' LYS . 8.7 mmtt -52.44 -48.02 66.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.141 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.08 -25.3 7.54 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -75.13 -42.41 56.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.784 0.326 . . . . 0.0 110.493 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.71 -32.34 65.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.628 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -66.92 -52.35 44.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -61.43 -54.07 48.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.527 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.8 mt -53.39 -53.58 23.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.508 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.6 -21.78 61.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.65 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -64.16 -60.24 7.43 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -66.49 -15.48 63.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.738 0.304 . . . . 0.0 110.699 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.51 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -72.46 -62.87 1.29 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.259 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.78 -16.11 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.629 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 p -61.81 -44.23 97.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.66 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -29.11 65.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.023 0.44 . . . . 0.0 110.367 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.4 t -71.77 -16.96 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.658 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.5 ttm -105.29 -56.19 2.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.53 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.395 0 O-C-N 120.083 -1.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.6 t -53.1 -61.49 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.421 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.0 t -52.62 -35.62 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.805 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -69.51 -42.5 74.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 50.3 mt -53.54 -38.0 32.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.701 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.492 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.6 mt -57.28 -48.46 78.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.036 0.445 . . . . 0.0 110.187 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.538 ' HG2' ' H ' ' A' ' 7' ' ' LYS . 11.5 mmtt -51.83 -50.76 60.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.105 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.18 -25.25 7.72 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -74.73 -36.8 62.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.795 0.331 . . . . 0.0 110.657 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.96 -45.48 74.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.603 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -59.17 -38.53 80.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.743 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -71.55 -52.81 16.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.702 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.489 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 61.6 mt -53.16 -53.79 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.509 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.01 -21.6 0.71 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.91 -60.98 7.58 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.489 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 21.3 p80 -64.53 -22.6 67.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 110.567 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.55 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -68.69 -62.34 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.106 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.91 -14.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.564 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.3 p -57.89 -44.66 86.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.59 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -29.83 67.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.984 0.421 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.13 -16.83 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.685 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.444 ' SD ' ' C ' ' A' ' 22' ' ' MET . 1.3 tmt? -87.28 -62.0 1.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.534 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 120.045 -1.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.8 t -52.38 -61.45 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 110.434 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.7 t -54.09 -34.91 27.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.658 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -69.55 -43.52 72.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.952 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 46.2 mt -52.0 -33.1 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.576 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.501 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.0 mt -63.6 -49.92 71.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.047 0.451 . . . . 0.0 110.158 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.417 ' HG2' ' H ' ' A' ' 7' ' ' LYS . 8.1 mmtt -53.39 -52.36 59.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.28 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.07 -26.5 8.95 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -75.32 -34.8 61.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.823 0.344 . . . . 0.0 110.37 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.08 -32.06 61.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.522 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -66.75 -52.62 42.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.566 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -60.03 -52.44 65.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.347 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 54.7 mt -53.1 -53.42 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.335 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.1 -21.51 46.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.632 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.8 -60.75 7.6 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.477 ' ND1' ' C ' ' A' ' 16' ' ' HIS . 6.2 p80 -62.71 -15.15 51.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.705 0.288 . . . . 0.0 110.761 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.557 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -69.25 -63.44 1.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.249 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.86 -20.16 48.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.543 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.5 p -69.48 -42.33 74.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.662 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -29.17 65.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.176 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.0 t -70.99 -16.87 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.633 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.8 ttt -84.35 -72.24 0.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.543 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 120.09 -1.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.4 t -52.1 -60.66 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.372 . . . . 0.0 110.455 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.0 t -52.21 -34.51 18.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.497 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -69.77 -43.51 72.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.786 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 61.6 mt -51.82 -34.96 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.502 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.482 HD23 ' N ' ' A' ' 6' ' ' LEU . 5.2 mt -61.89 -47.51 84.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.034 0.445 . . . . 0.0 110.129 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.446 ' H ' ' HG2' ' A' ' 7' ' ' LYS . 9.9 mmtt -58.22 -54.52 46.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.223 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.37 -25.64 12.85 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -75.17 -32.76 61.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.811 0.339 . . . . 0.0 110.49 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.41 -32.04 72.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.485 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.4 tttp -57.27 -43.4 83.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.715 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.95 -53.46 20.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.445 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.514 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 54.0 mt -59.12 -53.69 44.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.494 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.02 -21.62 63.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.61 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.2 -60.43 8.62 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.514 ' CE1' ' O ' ' A' ' 13' ' ' ILE . 3.5 p80 -67.6 -15.66 63.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.641 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.523 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -75.72 -62.6 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.234 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.53 -16.61 16.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.495 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.53 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 28.8 p -58.4 -34.24 70.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -29.1 63.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.191 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.404 ' O ' HG12 ' A' ' 21' ' ' VAL . 93.6 t -76.98 -15.84 14.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.746 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 28.5 ttp -124.55 -7.95 7.44 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.543 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . 0.53 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 120.064 -1.648 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.0 t -52.38 -61.13 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.783 0.325 . . . . 0.0 110.398 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.6 t -52.3 -35.47 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.776 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -69.63 -43.7 72.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.82 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 55.7 mt -51.93 -36.97 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.619 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.482 HD23 ' N ' ' A' ' 6' ' ' LEU . 5.4 mt -58.48 -51.42 69.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.106 0.479 . . . . 0.0 110.215 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.5 ' HG2' ' H ' ' A' ' 7' ' ' LYS . 9.1 mmtt -51.86 -47.05 64.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.141 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.99 -25.31 7.34 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -75.08 -44.5 47.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.834 0.35 . . . . 0.0 110.487 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.2 -32.8 69.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.524 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -59.24 -43.25 92.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.762 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -66.19 -46.58 76.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.582 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.416 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 56.4 mt -65.17 -53.56 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.464 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.52 -21.71 65.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.582 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.69 -60.04 9.72 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.416 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 22.7 p80 -68.2 -16.05 63.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.737 0.303 . . . . 0.0 110.545 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.518 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -78.24 -61.15 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.212 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.17 -18.17 1.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.553 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.5 p -67.21 -45.32 77.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.541 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -28.77 66.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.186 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.6 t -68.37 -16.51 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.814 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.1 ttt -109.38 -56.58 2.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.508 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 120.016 -1.678 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.4 t -52.39 -61.34 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.475 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.5 t -52.59 -35.41 20.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.659 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -69.66 -43.96 71.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 53.6 mt -52.03 -37.33 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.586 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.485 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.5 mt -57.97 -50.12 74.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.034 0.445 . . . . 0.0 110.143 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.438 ' H ' ' HG2' ' A' ' 7' ' ' LYS . 10.2 mmtt -52.77 -54.63 31.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.13 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.21 -26.01 12.32 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -75.32 -32.57 60.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.824 0.345 . . . . 0.0 110.523 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.65 -32.99 74.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.566 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -62.62 -45.33 93.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.669 179.83 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -65.57 -50.64 64.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.579 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.534 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 57.5 mt -61.26 -53.66 45.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.404 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.05 -21.36 61.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.355 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -56.77 -55.85 27.86 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.534 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 18.5 p80 -71.87 -25.08 61.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 110.816 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.527 ' C ' HD13 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -75.66 -59.41 2.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.128 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.7 -16.83 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.59 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.6 p -61.19 -45.98 92.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.451 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.64 -29.21 63.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.148 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.8 t -78.15 -16.57 13.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.533 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 14.9 ttm -65.11 -65.48 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.5 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 120.101 -1.624 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_