data_5u9y_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 5u9y _Structure_validation_residue.Date_analyzed 2017-03-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.427 HG22 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.713 0.292 . . . . 0.0 110.459 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.427 ' H ' HG22 ' A' ' 2' ' ' VAL . 72.9 t -52.05 -34.25 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.49 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.69 -32.83 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.737 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 86.5 mt -82.34 -32.35 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.756 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.88 -47.4 86.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.5 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -50.17 36.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.463 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.31 -23.05 59.55 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.67 -36.18 70.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.847 0.356 . . . . 0.0 110.539 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.84 -26.5 68.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.51 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.3 tttt -64.42 -29.58 70.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.75 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -70.18 -39.69 75.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.569 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.429 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 61.5 mt -70.07 -55.23 15.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.453 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.04 -13.34 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.552 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.89 -62.85 5.76 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.429 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 32.5 p80 -69.4 -15.31 63.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.76 0.314 . . . . 0.0 110.639 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.456 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -81.29 -63.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.494 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.98 -10.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.495 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.456 ' H ' ' C ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -77.89 -41.09 37.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.485 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -46.03 -52.2 12.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.413 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.51 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.416 HG23 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 120.711 0.291 . . . . 0.0 110.516 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.416 ' H ' HG23 ' A' ' 2' ' ' VAL . 32.0 t -58.65 -32.79 47.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.629 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -70.01 -39.83 75.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 84.8 mt -81.45 -35.73 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.038 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.3 mt -58.84 -52.44 65.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.534 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -49.08 77.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.54 -23.02 62.25 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.96 -48.8 51.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.812 0.339 . . . . 0.0 110.628 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.89 -27.11 60.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.592 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -75.23 -45.25 41.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.684 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -58.55 -52.23 66.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.522 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.9 mt -60.14 -48.39 88.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.618 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.26 -13.22 17.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.642 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.96 -62.89 5.43 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.3 p80 -72.14 -15.3 61.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.719 0.295 . . . . 0.0 110.718 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.52 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -81.25 -63.57 1.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.488 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.33 -0.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.67 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.52 ' H ' ' C ' ' A' ' 17' ' ' LEU . 13.1 p -72.21 -62.62 1.37 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.674 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.516 ' N ' ' OG ' ' A' ' 19' ' ' SER . 27.4 pttt -47.85 -26.49 1.69 Allowed 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.686 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.6 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.42 HG21 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 120.742 0.306 . . . . 0.0 110.438 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.42 ' H ' HG21 ' A' ' 2' ' ' VAL . 44.3 t -54.33 -33.2 25.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.655 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -69.99 -43.82 70.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.057 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.4 mt -78.68 -31.37 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.113 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mt -57.09 -52.53 64.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.759 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.94 -55.22 15.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.833 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.18 -27.74 65.63 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.04 -45.86 25.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.832 0.349 . . . . 0.0 110.632 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.13 -30.76 71.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.619 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -62.33 -32.16 72.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.621 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -75.24 -36.12 61.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.0 mt -78.32 -55.35 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.604 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.22 -22.76 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.6 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.31 -62.83 5.59 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -73.27 -15.18 61.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.792 0.329 . . . . 0.0 110.755 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -73.05 -63.56 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.472 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.11 -9.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.505 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.523 ' H ' ' C ' ' A' ' 17' ' ' LEU . 1.3 p -89.45 -47.53 7.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -46.08 -43.53 14.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.473 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.5 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.53 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.754 0.312 . . . . 0.0 110.36 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.41 ' H ' HG23 ' A' ' 2' ' ' VAL . 15.1 t -57.52 -36.51 53.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.532 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -69.85 -37.17 76.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.756 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 87.6 mt -80.24 -31.51 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.1 mt -60.58 -52.43 65.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.521 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -46.72 83.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.341 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.55 -23.02 57.79 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.1 -47.34 74.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.828 0.347 . . . . 0.0 110.435 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.47 -26.55 54.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.479 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -55.4 -33.6 63.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.807 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -68.18 -40.46 82.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.495 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.517 ' O ' ' NE2' ' A' ' 16' ' ' HIS . 18.7 mt -67.05 -55.54 17.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.506 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.62 -15.63 58.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.28 -62.91 5.65 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.517 ' NE2' ' O ' ' A' ' 13' ' ' ILE . 30.5 p80 -63.43 -16.88 61.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 110.539 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.438 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -84.9 -41.01 16.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.348 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.69 -13.36 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.418 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.438 ' H ' ' C ' ' A' ' 17' ' ' LEU . 1.6 p -62.43 -50.34 71.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.475 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -51.26 -43.97 61.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.311 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.9 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.467 179.877 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.417 HG22 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 120.794 0.331 . . . . 0.0 110.426 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.417 ' H ' HG22 ' A' ' 2' ' ' VAL . 30.0 t -63.55 -42.67 96.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.645 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.2 OUTLIER -56.84 -46.58 81.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.957 -179.725 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.2 mt -68.92 -37.98 78.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.76 -52.39 65.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.545 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -48.36 63.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.53 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.46 -22.99 64.21 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.95 -40.04 65.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.82 0.343 . . . . 0.0 110.542 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.42 -26.54 53.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.498 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -69.72 -30.54 68.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.611 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -62.6 -44.04 97.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.444 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.521 ' O ' ' NE2' ' A' ' 16' ' ' HIS . 96.2 mt -64.32 -54.58 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -13.75 29.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.91 -61.29 7.35 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.521 ' NE2' ' O ' ' A' ' 13' ' ' ILE . 18.9 p80 -64.8 -16.2 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.622 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.36 -51.2 7.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.571 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.67 -16.63 4.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.554 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.604 ' HG ' ' H ' ' A' ' 20' ' ' LYS . 3.3 p -80.9 -53.16 6.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.552 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.604 ' H ' ' HG ' ' A' ' 19' ' ' SER . 11.6 tptt -46.15 -35.92 5.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.408 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.3 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.59 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.406 HG22 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.749 0.309 . . . . 0.0 110.51 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.406 ' H ' HG22 ' A' ' 2' ' ' VAL . 18.3 t -60.16 -33.51 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.602 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -69.88 -38.1 76.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.0 mt -81.03 -32.51 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.875 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 mt -59.83 -52.53 65.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.518 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -47.61 82.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.602 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.33 -23.12 57.44 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.74 -46.34 25.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.829 0.347 . . . . 0.0 110.555 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.52 -26.5 66.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 tttp -75.08 -33.89 61.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.718 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -67.25 -43.98 80.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.608 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.04 -47.79 88.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.79 -14.97 17.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.622 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.99 -62.82 5.51 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -72.5 -15.36 61.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.766 0.317 . . . . 0.0 110.735 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.9 -45.81 16.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.429 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.99 -17.36 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.493 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.39 -43.43 18.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.441 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -46.01 -51.2 13.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.423 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.6 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.524 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.425 HG22 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.672 0.272 . . . . 0.0 110.504 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.425 ' H ' HG22 ' A' ' 2' ' ' VAL . 17.9 t -57.46 -31.5 38.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.758 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.82 -34.65 73.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.783 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 84.4 mt -82.45 -33.79 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.882 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mt -58.03 -52.62 64.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.528 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -46.84 83.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.593 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.06 -22.94 61.09 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.78 95.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.758 0.313 . . . . 0.0 110.601 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.36 -26.51 53.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.604 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -66.77 -29.63 69.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.792 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -74.91 -36.6 62.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.477 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 94.1 mt -76.27 -54.37 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.585 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.24 -13.13 6.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.64 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.73 -62.87 5.11 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.477 ' CE1' ' O ' ' A' ' 13' ' ' ILE . 16.6 p80 -64.29 -15.28 59.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 110.814 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.518 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -78.07 -46.53 20.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.545 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.67 -3.77 0.22 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.643 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.518 ' H ' ' C ' ' A' ' 17' ' ' LEU . 1.1 p -96.73 -45.02 6.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.592 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -46.11 -56.56 5.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.508 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.713 -179.876 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.435 HG21 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.743 0.306 . . . . 0.0 110.457 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.435 ' H ' HG21 ' A' ' 2' ' ' VAL . 99.9 t -61.85 -29.7 46.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.653 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -63.69 -31.65 72.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.741 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 89.4 mt -82.69 -37.63 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.78 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mt -61.9 -50.9 70.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.601 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -49.87 64.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.62 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.0 -22.99 63.21 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.46 -35.97 63.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.78 0.324 . . . . 0.0 110.561 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.47 -26.69 54.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.477 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -67.97 -37.07 81.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.675 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -61.19 -45.91 92.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.609 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.516 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 94.9 mt -59.74 -55.41 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.99 -16.74 46.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.668 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.4 -62.93 5.48 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.516 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 30.7 p80 -68.51 -15.31 63.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.329 . . . . 0.0 110.66 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.435 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -78.76 -53.0 7.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.471 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.42 -10.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.464 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.435 ' H ' ' C ' ' A' ' 17' ' ' LEU . 1.5 p -78.84 -49.41 12.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.525 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -51.63 -39.61 58.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.7 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.53 179.917 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.419 HG22 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.701 0.286 . . . . 0.0 110.413 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.419 ' H ' HG22 ' A' ' 2' ' ' VAL . 13.0 t -55.3 -29.92 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.49 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -63.3 -29.76 71.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.594 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.7 mt -82.79 -35.96 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.765 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.73 -52.59 64.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.603 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -47.92 81.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.487 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.98 -22.94 56.25 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.95 -40.58 93.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.806 0.336 . . . . 0.0 110.545 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.53 -45.86 90.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.598 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -62.5 -43.89 97.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.757 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -65.05 -54.02 36.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.655 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.8 mt -59.32 -55.5 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.676 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.22 -18.67 38.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.655 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.19 -62.87 5.42 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -71.77 -15.27 62.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.768 0.318 . . . . 0.0 110.769 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.52 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -79.09 -64.1 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.602 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.47 -0.07 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.679 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.52 ' H ' ' C ' ' A' ' 17' ' ' LEU . 8.7 p -73.07 -60.88 2.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.712 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.496 ' N ' ' OG ' ' A' ' 19' ' ' SER . 13.7 pttp -46.72 -38.67 10.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.741 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.4 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 96.1 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.521 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.414 HG23 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 120.776 0.322 . . . . 0.0 110.444 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.414 ' H ' HG23 ' A' ' 2' ' ' VAL . 15.4 t -55.53 -34.39 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.661 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -69.8 -40.83 75.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.9 mt -78.01 -34.75 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.3 mt -60.01 -46.87 88.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.581 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -46.53 55.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.533 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.15 -23.05 65.75 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.62 -32.77 74.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 0.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.75 -47.9 84.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.572 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -53.39 -39.06 63.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.824 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -59.72 -49.94 75.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.572 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -73.83 -55.49 12.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.546 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -55.18 -12.49 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.601 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.18 -60.32 8.54 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.1 p80 -71.81 -22.75 61.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.76 0.314 . . . . 0.0 110.689 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' A' ' 19' ' ' SER . 0.1 OUTLIER -83.68 -31.57 26.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.395 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -44.98 -15.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.695 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.8 p -57.75 -50.35 73.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.409 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -59.41 -39.21 82.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.432 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.1 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.64 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.427 HG22 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -52.53 -60.3 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.713 0.292 . . . . 0.0 110.459 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.427 ' H ' HG22 ' A' ' 2' ' ' VAL . 72.9 t -52.05 -34.25 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.49 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.69 -32.83 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.737 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 86.5 mt -82.34 -32.35 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.756 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.88 -47.4 86.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.5 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -50.17 36.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.463 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.31 -23.05 59.55 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.67 -36.18 70.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.847 0.356 . . . . 0.0 110.539 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.84 -26.5 68.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.51 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.3 tttt -64.42 -29.58 70.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.75 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -70.18 -39.69 75.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.569 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.429 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 61.5 mt -70.07 -55.23 15.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.453 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.04 -13.34 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.552 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.89 -62.85 5.76 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.429 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 32.5 p80 -69.4 -15.31 63.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.76 0.314 . . . . 0.0 110.639 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.456 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -81.29 -63.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.494 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.98 -10.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.495 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.456 ' H ' ' C ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -77.89 -41.09 37.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.485 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -46.03 -52.2 12.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.413 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 t -63.6 -52.76 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.51 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.0 tpt -56.33 -29.01 60.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.598 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -66.64 -27.85 68.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.568 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.3 tptt -71.31 -58.42 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.803 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.45 49.3 0.37 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.594 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 120.066 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.416 HG23 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -54.54 -60.02 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.711 0.291 . . . . 0.0 110.516 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.416 ' H ' HG23 ' A' ' 2' ' ' VAL . 32.0 t -58.65 -32.79 47.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.629 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -70.01 -39.83 75.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 84.8 mt -81.45 -35.73 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.038 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.3 mt -58.84 -52.44 65.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.534 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -49.08 77.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.54 -23.02 62.25 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.96 -48.8 51.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.812 0.339 . . . . 0.0 110.628 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.89 -27.11 60.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.592 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -75.23 -45.25 41.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.684 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -58.55 -52.23 66.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.522 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.9 mt -60.14 -48.39 88.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.618 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.26 -13.22 17.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.642 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.96 -62.89 5.43 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.3 p80 -72.14 -15.3 61.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.719 0.295 . . . . 0.0 110.718 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.52 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -81.25 -63.57 1.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.488 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.33 -0.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.67 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.52 ' H ' ' C ' ' A' ' 17' ' ' LEU . 13.1 p -72.21 -62.62 1.37 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.674 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.516 ' N ' ' OG ' ' A' ' 19' ' ' SER . 27.4 pttt -47.85 -26.49 1.69 Allowed 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.686 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.6 t -73.7 -52.95 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.496 ' O ' ' SD ' ' A' ' 22' ' ' MET . 10.8 tmm? -69.83 -29.22 66.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.687 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.43 -27.77 69.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.659 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -67.63 -58.48 4.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.26 53.38 0.81 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.65 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.058 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.42 HG21 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -60.73 -59.66 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.742 0.306 . . . . 0.0 110.438 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.42 ' H ' HG21 ' A' ' 2' ' ' VAL . 44.3 t -54.33 -33.2 25.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.655 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -69.99 -43.82 70.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.057 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.4 mt -78.68 -31.37 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.113 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mt -57.09 -52.53 64.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.759 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.94 -55.22 15.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.833 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.18 -27.74 65.63 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.04 -45.86 25.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.832 0.349 . . . . 0.0 110.632 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.13 -30.76 71.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.619 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -62.33 -32.16 72.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.621 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -75.24 -36.12 61.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.0 mt -78.32 -55.35 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.604 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.22 -22.76 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.6 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.31 -62.83 5.59 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -73.27 -15.18 61.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.792 0.329 . . . . 0.0 110.755 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -73.05 -63.56 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.472 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.11 -9.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.505 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.523 ' H ' ' C ' ' A' ' 17' ' ' LEU . 1.3 p -89.45 -47.53 7.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -46.08 -43.53 14.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.473 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.5 t -66.07 -52.72 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.53 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.2 tpt -62.98 -26.32 68.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.707 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.32 -28.22 69.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.817 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -73.02 -58.59 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.89 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.4 HD21 ' H ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -74.05 59.4 0.72 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.699 -179.891 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.022 -1.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -52.38 -59.76 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.312 . . . . 0.0 110.36 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.41 ' H ' HG23 ' A' ' 2' ' ' VAL . 15.1 t -57.52 -36.51 53.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.532 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -69.85 -37.17 76.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.756 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 87.6 mt -80.24 -31.51 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.1 mt -60.58 -52.43 65.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.521 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -46.72 83.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.341 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.55 -23.02 57.79 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.1 -47.34 74.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.828 0.347 . . . . 0.0 110.435 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.47 -26.55 54.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.479 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -55.4 -33.6 63.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.807 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -68.18 -40.46 82.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.495 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.517 ' O ' ' NE2' ' A' ' 16' ' ' HIS . 18.7 mt -67.05 -55.54 17.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.506 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.62 -15.63 58.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.28 -62.91 5.65 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.517 ' NE2' ' O ' ' A' ' 13' ' ' ILE . 30.5 p80 -63.43 -16.88 61.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 110.539 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.438 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -84.9 -41.01 16.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.348 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.69 -13.36 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.418 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.438 ' H ' ' C ' ' A' ' 17' ' ' LEU . 1.6 p -62.43 -50.34 71.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.475 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -51.26 -43.97 61.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.311 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.9 t -71.39 -38.48 69.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.467 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.9 tpt -71.98 -26.94 62.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.581 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.81 -27.25 62.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.669 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -58.19 -50.94 71.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.011 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 pp -53.96 -24.7 17.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.664 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.047 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.423 ' N ' ' OD2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.341 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.417 HG22 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -52.33 -60.01 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.331 . . . . 0.0 110.426 -179.863 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.417 ' H ' HG22 ' A' ' 2' ' ' VAL . 30.0 t -63.55 -42.67 96.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.645 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.2 OUTLIER -56.84 -46.58 81.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.957 -179.725 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.2 mt -68.92 -37.98 78.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.76 -52.39 65.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.545 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -48.36 63.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.53 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.46 -22.99 64.21 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.95 -40.04 65.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.82 0.343 . . . . 0.0 110.542 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.42 -26.54 53.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.498 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -69.72 -30.54 68.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.611 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -62.6 -44.04 97.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.444 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.521 ' O ' ' NE2' ' A' ' 16' ' ' HIS . 96.2 mt -64.32 -54.58 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -13.75 29.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.91 -61.29 7.35 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.521 ' NE2' ' O ' ' A' ' 13' ' ' ILE . 18.9 p80 -64.8 -16.2 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.622 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.36 -51.2 7.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.571 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.67 -16.63 4.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.554 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.604 ' HG ' ' H ' ' A' ' 20' ' ' LYS . 3.3 p -80.9 -53.16 6.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.552 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.604 ' H ' ' HG ' ' A' ' 19' ' ' SER . 11.6 tptt -46.15 -35.92 5.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.408 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.3 t -71.19 -52.94 23.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.59 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.454 ' C ' ' SD ' ' A' ' 22' ' ' MET . 1.1 tmt? -64.37 -26.38 68.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.594 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.45 -27.98 69.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.695 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.448 ' C ' ' HN1' ' A' ' 26' ' ' NH2 . 12.8 tptp -73.16 -58.58 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.879 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.26 25.41 0.06 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.595 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . 0.448 ' HN1' ' C ' ' A' ' 24' ' ' LYS . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 120.095 -1.628 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.406 HG22 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -52.47 -59.88 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 0.0 110.51 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.406 ' H ' HG22 ' A' ' 2' ' ' VAL . 18.3 t -60.16 -33.51 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.602 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -69.88 -38.1 76.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.0 mt -81.03 -32.51 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.875 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 mt -59.83 -52.53 65.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.518 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -47.61 82.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.602 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.33 -23.12 57.44 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.74 -46.34 25.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.829 0.347 . . . . 0.0 110.555 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.52 -26.5 66.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 tttp -75.08 -33.89 61.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.718 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -67.25 -43.98 80.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.608 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.04 -47.79 88.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.79 -14.97 17.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.622 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.99 -62.82 5.51 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -72.5 -15.36 61.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.766 0.317 . . . . 0.0 110.735 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.9 -45.81 16.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.429 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.99 -17.36 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.493 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 23' ' ' ASN . 1.0 OUTLIER -81.39 -43.43 18.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.441 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -46.01 -51.2 13.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.423 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.6 t -62.14 -44.89 99.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.524 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.4 tpt -67.05 -27.34 67.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.58 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 19' ' ' SER . 1.2 m-80 -66.96 -27.95 67.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.676 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -73.99 -58.31 3.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.885 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.486 ' CD1' ' C ' ' A' ' 25' ' ' LEU . 2.6 pp -64.41 -22.11 66.85 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.731 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 120.067 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.584 -1.407 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.425 HG22 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -52.77 -60.18 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.672 0.272 . . . . 0.0 110.504 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.425 ' H ' HG22 ' A' ' 2' ' ' VAL . 17.9 t -57.46 -31.5 38.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.758 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.82 -34.65 73.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.783 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 84.4 mt -82.45 -33.79 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.882 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mt -58.03 -52.62 64.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.528 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -46.84 83.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.593 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.06 -22.94 61.09 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.78 95.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.758 0.313 . . . . 0.0 110.601 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.36 -26.51 53.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.604 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -66.77 -29.63 69.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.792 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -74.91 -36.6 62.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.477 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 94.1 mt -76.27 -54.37 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.585 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.24 -13.13 6.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.64 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.73 -62.87 5.11 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.477 ' CE1' ' O ' ' A' ' 13' ' ' ILE . 16.6 p80 -64.29 -15.28 59.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 110.814 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.518 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -78.07 -46.53 20.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.545 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.67 -3.77 0.22 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.643 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.518 ' H ' ' C ' ' A' ' 17' ' ' LEU . 1.1 p -96.73 -45.02 6.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.592 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -46.11 -56.56 5.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.508 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.8 t -61.53 -43.98 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.713 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.2 tpt -63.26 -31.95 73.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.802 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -74.08 -28.01 61.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.628 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -74.32 -58.26 3.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.901 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.4 ' CD1' ' C ' ' A' ' 25' ' ' LEU . 1.2 pp -60.23 -26.34 66.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.563 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 120.026 -1.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.435 HG21 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -58.01 -60.1 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.743 0.306 . . . . 0.0 110.457 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.435 ' H ' HG21 ' A' ' 2' ' ' VAL . 99.9 t -61.85 -29.7 46.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.653 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -63.69 -31.65 72.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.741 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 89.4 mt -82.69 -37.63 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.78 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mt -61.9 -50.9 70.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.601 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -49.87 64.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.62 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.0 -22.99 63.21 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.46 -35.97 63.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.78 0.324 . . . . 0.0 110.561 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.47 -26.69 54.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.477 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -67.97 -37.07 81.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.675 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -61.19 -45.91 92.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.609 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.516 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 94.9 mt -59.74 -55.41 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.99 -16.74 46.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.668 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.4 -62.93 5.48 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.516 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 30.7 p80 -68.51 -15.31 63.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.329 . . . . 0.0 110.66 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.435 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -78.76 -53.0 7.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.471 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.42 -10.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.464 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.435 ' H ' ' C ' ' A' ' 17' ' ' LEU . 1.5 p -78.84 -49.41 12.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.525 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -51.63 -39.61 58.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.7 t -67.11 -45.59 86.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.53 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.6 tpt -68.86 -32.92 72.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.667 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -70.89 -27.7 64.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.65 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -65.2 -57.99 7.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.957 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.94 -27.12 65.02 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.576 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 120.047 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.419 HG22 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -67.5 -60.13 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.701 0.286 . . . . 0.0 110.413 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.419 ' H ' HG22 ' A' ' 2' ' ' VAL . 13.0 t -55.3 -29.92 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.49 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -63.3 -29.76 71.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.594 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.7 mt -82.79 -35.96 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.765 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.73 -52.59 64.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.603 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -47.92 81.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.487 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.98 -22.94 56.25 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.95 -40.58 93.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.806 0.336 . . . . 0.0 110.545 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.53 -45.86 90.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.598 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -62.5 -43.89 97.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.757 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -65.05 -54.02 36.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.655 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.8 mt -59.32 -55.5 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.676 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.22 -18.67 38.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.655 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.19 -62.87 5.42 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -71.77 -15.27 62.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.768 0.318 . . . . 0.0 110.769 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.52 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -79.09 -64.1 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.602 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.47 -0.07 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.679 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.52 ' H ' ' C ' ' A' ' 17' ' ' LEU . 8.7 p -73.07 -60.88 2.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.712 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.496 ' N ' ' OG ' ' A' ' 19' ' ' SER . 13.7 pttp -46.72 -38.67 10.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.741 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.4 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 96.1 t -61.53 -44.69 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.521 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.9 tpt -71.98 -42.37 66.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.773 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.557 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -61.79 -36.74 81.96 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.018 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -74.99 -58.18 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.431 ' CD1' ' C ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -61.12 -27.99 68.78 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.6 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.04 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.414 HG23 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -56.11 -59.89 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.776 0.322 . . . . 0.0 110.444 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.414 ' H ' HG23 ' A' ' 2' ' ' VAL . 15.4 t -55.53 -34.39 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.661 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -69.8 -40.83 75.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.9 mt -78.01 -34.75 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.3 mt -60.01 -46.87 88.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.581 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -46.53 55.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.533 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.15 -23.05 65.75 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.62 -32.77 74.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 0.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.75 -47.9 84.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.572 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -53.39 -39.06 63.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.824 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -59.72 -49.94 75.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.572 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -73.83 -55.49 12.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.546 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -55.18 -12.49 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.601 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.18 -60.32 8.54 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.1 p80 -71.81 -22.75 61.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.76 0.314 . . . . 0.0 110.689 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' A' ' 19' ' ' SER . 0.1 OUTLIER -83.68 -31.57 26.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.395 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -44.98 -15.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.695 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.8 p -57.75 -50.35 73.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.409 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -59.41 -39.21 82.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.432 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.1 t -74.46 -37.47 44.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.64 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.3 tpt -71.73 -26.4 62.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.715 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -66.1 -33.76 76.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -83.87 -58.37 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.224 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.434 ' CD1' ' C ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -60.43 -27.7 67.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.611 -179.742 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.005 -1.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.419 HG23 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.713 0.292 . . . . 0.0 110.459 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.419 ' H ' HG23 ' A' ' 2' ' ' VAL . 72.9 t -52.05 -34.25 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.49 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.69 -32.83 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.737 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 86.5 mt -82.34 -32.35 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.756 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.88 -47.4 86.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.5 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -50.17 36.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.463 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.31 -23.05 59.55 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 5' ' ' ILE . . . -71.67 -36.18 70.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.847 0.356 . . . . 0.0 110.539 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.84 -26.5 68.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.51 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.3 tttt -64.42 -29.58 70.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.75 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -70.18 -39.69 75.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.569 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.429 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 61.5 mt -70.07 -55.23 15.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.453 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.04 -13.34 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.552 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.89 -62.85 5.76 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.429 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 32.5 p80 -69.4 -15.31 63.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.76 0.314 . . . . 0.0 110.639 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.42 ' C ' ' N ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -81.29 -63.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.494 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.98 -10.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.495 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -77.89 -41.09 37.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.485 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -46.03 -52.2 12.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.413 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.51 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.403 HG23 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 120.711 0.291 . . . . 0.0 110.516 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.403 ' H ' HG23 ' A' ' 2' ' ' VAL . 32.0 t -58.65 -32.79 47.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.629 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -70.01 -39.83 75.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 84.8 mt -81.45 -35.73 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.038 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.442 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 6.3 mt -58.84 -52.44 65.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.534 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -49.08 77.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.54 -23.02 62.25 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -70.96 -48.8 51.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.812 0.339 . . . . 0.0 110.628 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.89 -27.11 60.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.592 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -75.23 -45.25 41.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.684 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -58.55 -52.23 66.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.522 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.9 mt -60.14 -48.39 88.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.618 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.26 -13.22 17.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.642 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.96 -62.89 5.43 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.3 p80 -72.14 -15.3 61.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.719 0.295 . . . . 0.0 110.718 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -81.25 -63.57 1.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.488 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.33 -0.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.67 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.516 ' OG ' ' N ' ' A' ' 20' ' ' LYS . 13.1 p -72.21 -62.62 1.37 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.674 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.516 ' N ' ' OG ' ' A' ' 19' ' ' SER . 27.4 pttt -47.85 -26.49 1.69 Allowed 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.686 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.6 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 120.742 0.306 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.3 t -54.33 -33.2 25.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.655 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -69.99 -43.82 70.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.057 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.4 mt -78.68 -31.37 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.113 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mt -57.09 -52.53 64.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.759 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.94 -55.22 15.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.833 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.18 -27.74 65.63 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.04 -45.86 25.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.832 0.349 . . . . 0.0 110.632 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.13 -30.76 71.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.619 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -62.33 -32.16 72.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.621 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -75.24 -36.12 61.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.0 mt -78.32 -55.35 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.604 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.22 -22.76 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.6 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.31 -62.83 5.59 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -73.27 -15.18 61.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.792 0.329 . . . . 0.0 110.755 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.477 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -73.05 -63.56 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.472 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.11 -9.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.505 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.477 ' H ' ' C ' ' A' ' 17' ' ' LEU . 1.3 p -89.45 -47.53 7.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -46.08 -43.53 14.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.473 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.5 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.53 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.754 0.312 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.1 t -57.52 -36.51 53.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.532 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -69.85 -37.17 76.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.756 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 87.6 mt -80.24 -31.51 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.437 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 8.1 mt -60.58 -52.43 65.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.521 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -46.72 83.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.341 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.55 -23.02 57.79 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -66.1 -47.34 74.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.828 0.347 . . . . 0.0 110.435 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.47 -26.55 54.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.479 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -55.4 -33.6 63.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.807 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -68.18 -40.46 82.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.495 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.517 ' O ' ' NE2' ' A' ' 16' ' ' HIS . 18.7 mt -67.05 -55.54 17.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.506 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.62 -15.63 58.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.28 -62.91 5.65 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.517 ' NE2' ' O ' ' A' ' 13' ' ' ILE . 30.5 p80 -63.43 -16.88 61.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 110.539 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.522 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -84.9 -41.01 16.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.348 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.69 -13.36 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.418 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 17' ' ' LEU . 1.6 p -62.43 -50.34 71.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.475 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -51.26 -43.97 61.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.311 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.9 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.467 179.877 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.408 HG23 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 120.794 0.331 . . . . 0.0 110.426 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.408 ' H ' HG23 ' A' ' 2' ' ' VAL . 30.0 t -63.55 -42.67 96.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.645 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.2 OUTLIER -56.84 -46.58 81.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.957 -179.725 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.456 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 79.2 mt -68.92 -37.98 78.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.76 -52.39 65.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.545 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -48.36 63.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.53 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.46 -22.99 64.21 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 5' ' ' ILE . . . -72.95 -40.04 65.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.82 0.343 . . . . 0.0 110.542 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.42 -26.54 53.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.498 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -69.72 -30.54 68.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.611 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -62.6 -44.04 97.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.444 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.521 ' O ' ' NE2' ' A' ' 16' ' ' HIS . 96.2 mt -64.32 -54.58 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -13.75 29.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.91 -61.29 7.35 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.521 ' NE2' ' O ' ' A' ' 13' ' ' ILE . 18.9 p80 -64.8 -16.2 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.622 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -83.36 -51.2 7.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.571 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.67 -16.63 4.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.554 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 20' ' ' LYS . 3.3 p -80.9 -53.16 6.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.552 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.411 ' N ' ' OG ' ' A' ' 19' ' ' SER . 11.6 tptt -46.15 -35.92 5.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.408 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.3 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.59 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.749 0.309 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.3 t -60.16 -33.51 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.602 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -69.88 -38.1 76.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.0 mt -81.03 -32.51 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.875 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 mt -59.83 -52.53 65.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.518 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -47.61 82.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.602 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.33 -23.12 57.44 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.74 -46.34 25.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.829 0.347 . . . . 0.0 110.555 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.52 -26.5 66.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 tttp -75.08 -33.89 61.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.718 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -67.25 -43.98 80.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.608 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.04 -47.79 88.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.79 -14.97 17.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.622 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.99 -62.82 5.51 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -72.5 -15.36 61.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.766 0.317 . . . . 0.0 110.735 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -80.9 -45.81 16.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.429 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.99 -17.36 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.493 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.39 -43.43 18.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.441 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -46.01 -51.2 13.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.423 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.6 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.524 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.405 HG23 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.672 0.272 . . . . 0.0 110.504 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.405 ' H ' HG23 ' A' ' 2' ' ' VAL . 17.9 t -57.46 -31.5 38.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.758 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.82 -34.65 73.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.783 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 84.4 mt -82.45 -33.79 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.882 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.9 mt -58.03 -52.62 64.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.528 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -46.84 83.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.593 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.06 -22.94 61.09 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -64.88 -40.78 95.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.758 0.313 . . . . 0.0 110.601 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.36 -26.51 53.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.604 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -66.77 -29.63 69.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.792 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -74.91 -36.6 62.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.477 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 94.1 mt -76.27 -54.37 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.585 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.24 -13.13 6.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.64 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.73 -62.87 5.11 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.477 ' CE1' ' O ' ' A' ' 13' ' ' ILE . 16.6 p80 -64.29 -15.28 59.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 110.814 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.511 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -78.07 -46.53 20.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.545 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.67 -3.77 0.22 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.643 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.491 ' H ' ' C ' ' A' ' 17' ' ' LEU . 1.1 p -96.73 -45.02 6.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.592 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -46.11 -56.56 5.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.508 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.713 -179.876 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.4 HG23 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.743 0.306 . . . . 0.0 110.457 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.4 ' H ' HG23 ' A' ' 2' ' ' VAL . 99.9 t -61.85 -29.7 46.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.653 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -63.69 -31.65 72.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.741 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.45 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 89.4 mt -82.69 -37.63 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.78 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mt -61.9 -50.9 70.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.601 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -49.87 64.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.62 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.0 -22.99 63.21 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 5' ' ' ILE . . . -74.46 -35.97 63.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.78 0.324 . . . . 0.0 110.561 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.47 -26.69 54.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.477 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -67.97 -37.07 81.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.675 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -61.19 -45.91 92.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.609 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.516 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 94.9 mt -59.74 -55.41 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.99 -16.74 46.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.668 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.4 -62.93 5.48 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.516 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 30.7 p80 -68.51 -15.31 63.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.329 . . . . 0.0 110.66 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -78.76 -53.0 7.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.471 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.42 -10.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.464 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 17' ' ' LEU . 1.5 p -78.84 -49.41 12.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.525 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -51.63 -39.61 58.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.7 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.53 179.917 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.409 HG23 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.701 0.286 . . . . 0.0 110.413 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.409 ' H ' HG23 ' A' ' 2' ' ' VAL . 13.0 t -55.3 -29.92 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.49 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -63.3 -29.76 71.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.594 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.7 mt -82.79 -35.96 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.765 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.485 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 6.5 mt -60.73 -52.59 64.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.603 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -47.92 81.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.487 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.98 -22.94 56.25 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -60.95 -40.58 93.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.806 0.336 . . . . 0.0 110.545 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.53 -45.86 90.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.598 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -62.5 -43.89 97.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.757 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -65.05 -54.02 36.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.655 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.8 mt -59.32 -55.5 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.676 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.22 -18.67 38.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.655 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.19 -62.87 5.42 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -71.77 -15.27 62.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.768 0.318 . . . . 0.0 110.769 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -79.09 -64.1 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.602 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.47 -0.07 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.679 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.496 ' OG ' ' N ' ' A' ' 20' ' ' LYS . 8.7 p -73.07 -60.88 2.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.712 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.496 ' N ' ' OG ' ' A' ' 19' ' ' SER . 13.7 pttp -46.72 -38.67 10.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.741 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.4 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 96.1 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.521 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.407 HG23 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 120.776 0.322 . . . . 0.0 110.444 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 2' ' ' VAL . 15.4 t -55.53 -34.39 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.661 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -69.8 -40.83 75.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.9 mt -78.01 -34.75 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.3 mt -60.01 -46.87 88.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.581 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -46.53 55.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.533 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.15 -23.05 65.75 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.62 -32.77 74.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 0.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.75 -47.9 84.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.572 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -53.39 -39.06 63.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.824 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -59.72 -49.94 75.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.572 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -73.83 -55.49 12.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.546 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -55.18 -12.49 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.601 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.18 -60.32 8.54 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.1 p80 -71.81 -22.75 61.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.76 0.314 . . . . 0.0 110.689 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -83.68 -31.57 26.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.395 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -44.98 -15.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.695 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.8 p -57.75 -50.35 73.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.409 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -59.41 -39.21 82.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.432 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.1 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.64 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.427 ' H ' HG22 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -52.53 -60.3 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.713 0.292 . . . . 0.0 110.459 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.419 ' H ' HG23 ' A' ' 2' ' ' VAL . 72.9 t -52.05 -34.25 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.49 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.69 -32.83 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.737 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 86.5 mt -82.34 -32.35 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.756 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.88 -47.4 86.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.5 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -50.17 36.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.463 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.31 -23.05 59.55 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 5' ' ' ILE . . . -71.67 -36.18 70.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.847 0.356 . . . . 0.0 110.539 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.84 -26.5 68.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.51 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.3 tttt -64.42 -29.58 70.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.75 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -70.18 -39.69 75.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.569 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.429 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 61.5 mt -70.07 -55.23 15.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.453 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.04 -13.34 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.552 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.89 -62.85 5.76 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.429 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 32.5 p80 -69.4 -15.31 63.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.76 0.314 . . . . 0.0 110.639 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.42 ' C ' ' N ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -81.29 -63.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.494 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.98 -10.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.495 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -77.89 -41.09 37.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.485 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -46.03 -52.2 12.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.413 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 t -63.6 -52.76 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.51 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.0 tpt -56.33 -29.01 60.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.598 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -66.64 -27.85 68.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.568 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.3 tptt -71.31 -58.42 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.803 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.509 HD23 ' H ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -74.45 49.3 0.37 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.594 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 120.066 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.418 HG22 ' H ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -54.54 -60.02 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.711 0.291 . . . . 0.0 110.516 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.403 ' H ' HG23 ' A' ' 2' ' ' VAL . 32.0 t -58.65 -32.79 47.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.629 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -70.01 -39.83 75.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 84.8 mt -81.45 -35.73 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.038 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.442 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 6.3 mt -58.84 -52.44 65.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.534 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -49.08 77.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.54 -23.02 62.25 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -70.96 -48.8 51.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.812 0.339 . . . . 0.0 110.628 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.89 -27.11 60.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.592 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -75.23 -45.25 41.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.684 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -58.55 -52.23 66.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.522 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.9 mt -60.14 -48.39 88.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.618 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.26 -13.22 17.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.642 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.96 -62.89 5.43 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.3 p80 -72.14 -15.3 61.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.719 0.295 . . . . 0.0 110.718 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -81.25 -63.57 1.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.488 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.33 -0.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.67 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.516 ' OG ' ' N ' ' A' ' 20' ' ' LYS . 13.1 p -72.21 -62.62 1.37 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.674 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.516 ' N ' ' OG ' ' A' ' 19' ' ' SER . 27.4 pttt -47.85 -26.49 1.69 Allowed 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.686 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.6 t -73.7 -52.95 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.496 ' O ' ' SD ' ' A' ' 22' ' ' MET . 10.8 tmm? -69.83 -29.22 66.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.687 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.43 -27.77 69.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.659 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -67.63 -58.48 4.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.428 HD23 ' H ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -76.26 53.38 0.81 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.65 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.058 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.451 ' H ' HG22 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -60.73 -59.66 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.742 0.306 . . . . 0.0 110.438 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.3 t -54.33 -33.2 25.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.655 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -69.99 -43.82 70.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.057 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.4 mt -78.68 -31.37 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.113 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mt -57.09 -52.53 64.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.759 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.94 -55.22 15.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.833 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.18 -27.74 65.63 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.04 -45.86 25.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.832 0.349 . . . . 0.0 110.632 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.13 -30.76 71.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.619 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -62.33 -32.16 72.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.621 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -75.24 -36.12 61.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.0 mt -78.32 -55.35 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.604 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.22 -22.76 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.6 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.31 -62.83 5.59 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -73.27 -15.18 61.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.792 0.329 . . . . 0.0 110.755 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.477 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -73.05 -63.56 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.472 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.11 -9.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.505 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.477 ' H ' ' C ' ' A' ' 17' ' ' LEU . 1.3 p -89.45 -47.53 7.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -46.08 -43.53 14.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.473 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.5 t -66.07 -52.72 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.53 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.477 ' SD ' HD11 ' A' ' 25' ' ' LEU . 1.2 tpt -62.98 -26.32 68.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.707 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.32 -28.22 69.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.817 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -73.02 -58.59 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.89 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.483 HD23 ' H ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -74.05 59.4 0.72 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.699 -179.891 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.022 -1.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -59.76 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.312 . . . . 0.0 110.36 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.1 t -57.52 -36.51 53.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.532 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -69.85 -37.17 76.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.756 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 87.6 mt -80.24 -31.51 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.437 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 8.1 mt -60.58 -52.43 65.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.521 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -46.72 83.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.341 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.55 -23.02 57.79 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -66.1 -47.34 74.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.828 0.347 . . . . 0.0 110.435 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.47 -26.55 54.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.479 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -55.4 -33.6 63.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.807 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -68.18 -40.46 82.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.495 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.517 ' O ' ' NE2' ' A' ' 16' ' ' HIS . 18.7 mt -67.05 -55.54 17.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.506 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.62 -15.63 58.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.28 -62.91 5.65 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.517 ' NE2' ' O ' ' A' ' 13' ' ' ILE . 30.5 p80 -63.43 -16.88 61.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 110.539 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.522 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -84.9 -41.01 16.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.348 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.69 -13.36 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.418 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 17' ' ' LEU . 1.6 p -62.43 -50.34 71.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.475 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -51.26 -43.97 61.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.311 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.9 t -71.39 -38.48 69.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.467 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.9 tpt -71.98 -26.94 62.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.581 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.81 -27.25 62.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.669 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -58.19 -50.94 71.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.011 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 pp -53.96 -24.7 17.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.664 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.047 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.442 ' H ' HG22 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -52.33 -60.01 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.331 . . . . 0.0 110.426 -179.863 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.408 ' H ' HG23 ' A' ' 2' ' ' VAL . 30.0 t -63.55 -42.67 96.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.645 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.2 OUTLIER -56.84 -46.58 81.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.957 -179.725 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.456 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 79.2 mt -68.92 -37.98 78.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.76 -52.39 65.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.545 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -48.36 63.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.53 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.46 -22.99 64.21 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 5' ' ' ILE . . . -72.95 -40.04 65.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.82 0.343 . . . . 0.0 110.542 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.42 -26.54 53.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.498 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -69.72 -30.54 68.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.611 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -62.6 -44.04 97.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.444 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.521 ' O ' ' NE2' ' A' ' 16' ' ' HIS . 96.2 mt -64.32 -54.58 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -13.75 29.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.91 -61.29 7.35 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.521 ' NE2' ' O ' ' A' ' 13' ' ' ILE . 18.9 p80 -64.8 -16.2 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.622 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -83.36 -51.2 7.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.571 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.67 -16.63 4.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.554 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 20' ' ' LYS . 3.3 p -80.9 -53.16 6.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.552 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.411 ' N ' ' OG ' ' A' ' 19' ' ' SER . 11.6 tptt -46.15 -35.92 5.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.408 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.3 t -71.19 -52.94 23.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.59 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.454 ' C ' ' SD ' ' A' ' 22' ' ' MET . 1.1 tmt? -64.37 -26.38 68.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.594 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.45 -27.98 69.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.695 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -73.16 -58.58 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.879 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.455 HD23 ' H ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -73.26 25.41 0.06 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.595 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 120.095 -1.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.447 HG22 ' H ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -52.47 -59.88 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 0.0 110.51 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.3 t -60.16 -33.51 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.602 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -69.88 -38.1 76.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.0 mt -81.03 -32.51 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.875 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 mt -59.83 -52.53 65.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.518 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -47.61 82.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.602 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.33 -23.12 57.44 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.74 -46.34 25.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.829 0.347 . . . . 0.0 110.555 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.52 -26.5 66.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 tttp -75.08 -33.89 61.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.718 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -67.25 -43.98 80.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.608 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.04 -47.79 88.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.79 -14.97 17.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.622 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.99 -62.82 5.51 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -72.5 -15.36 61.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.766 0.317 . . . . 0.0 110.735 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -80.9 -45.81 16.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.429 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.99 -17.36 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.493 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 23' ' ' ASN . 1.0 OUTLIER -81.39 -43.43 18.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.441 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -46.01 -51.2 13.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.423 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.6 t -62.14 -44.89 99.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.524 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.4 tpt -67.05 -27.34 67.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.58 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 19' ' ' SER . 1.2 m-80 -66.96 -27.95 67.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.676 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -73.99 -58.31 3.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.885 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.744 ' C ' HD12 ' A' ' 25' ' ' LEU . 2.6 pp -64.41 -22.11 66.85 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.731 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . 0.441 ' N ' HD12 ' A' ' 25' ' ' LEU . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 120.067 -1.646 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.584 -1.407 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.433 ' H ' HG22 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -52.77 -60.18 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.672 0.272 . . . . 0.0 110.504 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.405 ' H ' HG23 ' A' ' 2' ' ' VAL . 17.9 t -57.46 -31.5 38.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.758 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.82 -34.65 73.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.783 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 84.4 mt -82.45 -33.79 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.882 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.9 mt -58.03 -52.62 64.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.528 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -46.84 83.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.593 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.06 -22.94 61.09 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -64.88 -40.78 95.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.758 0.313 . . . . 0.0 110.601 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.36 -26.51 53.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.604 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -66.77 -29.63 69.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.792 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -74.91 -36.6 62.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.477 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 94.1 mt -76.27 -54.37 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.585 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.24 -13.13 6.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.64 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.73 -62.87 5.11 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.477 ' CE1' ' O ' ' A' ' 13' ' ' ILE . 16.6 p80 -64.29 -15.28 59.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 110.814 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.511 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -78.07 -46.53 20.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.545 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.67 -3.77 0.22 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.643 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.491 ' H ' ' C ' ' A' ' 17' ' ' LEU . 1.1 p -96.73 -45.02 6.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.592 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -46.11 -56.56 5.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.508 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.8 t -61.53 -43.98 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.713 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.2 tpt -63.26 -31.95 73.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.802 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -74.08 -28.01 61.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.628 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -74.32 -58.26 3.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.901 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.601 ' C ' HD12 ' A' ' 25' ' ' LEU . 1.2 pp -60.23 -26.34 66.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.563 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 120.026 -1.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.408 HG22 ' H ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -58.01 -60.1 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.743 0.306 . . . . 0.0 110.457 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.4 ' H ' HG23 ' A' ' 2' ' ' VAL . 99.9 t -61.85 -29.7 46.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.653 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -63.69 -31.65 72.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.741 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.45 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 89.4 mt -82.69 -37.63 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.78 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mt -61.9 -50.9 70.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.601 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -49.87 64.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.62 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.0 -22.99 63.21 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 5' ' ' ILE . . . -74.46 -35.97 63.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.78 0.324 . . . . 0.0 110.561 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.47 -26.69 54.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.477 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -67.97 -37.07 81.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.675 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -61.19 -45.91 92.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.609 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.516 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 94.9 mt -59.74 -55.41 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.99 -16.74 46.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.668 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.4 -62.93 5.48 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.516 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 30.7 p80 -68.51 -15.31 63.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.329 . . . . 0.0 110.66 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -78.76 -53.0 7.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.471 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.42 -10.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.464 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 17' ' ' LEU . 1.5 p -78.84 -49.41 12.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.525 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -51.63 -39.61 58.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.7 t -67.11 -45.59 86.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.53 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.6 tpt -68.86 -32.92 72.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.667 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -70.89 -27.7 64.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.65 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -65.2 -57.99 7.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.957 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.514 ' C ' HD12 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -58.94 -27.12 65.02 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.576 -179.859 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 120.047 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.422 ' H ' HG22 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -67.5 -60.13 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.701 0.286 . . . . 0.0 110.413 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.409 ' H ' HG23 ' A' ' 2' ' ' VAL . 13.0 t -55.3 -29.92 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.49 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -63.3 -29.76 71.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.594 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.7 mt -82.79 -35.96 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.765 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.485 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 6.5 mt -60.73 -52.59 64.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.603 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -47.92 81.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.487 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.98 -22.94 56.25 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -60.95 -40.58 93.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.806 0.336 . . . . 0.0 110.545 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.53 -45.86 90.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.598 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -62.5 -43.89 97.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.757 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -65.05 -54.02 36.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.655 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.8 mt -59.32 -55.5 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.676 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.22 -18.67 38.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.655 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.19 -62.87 5.42 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -71.77 -15.27 62.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.768 0.318 . . . . 0.0 110.769 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -79.09 -64.1 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.602 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.47 -0.07 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.679 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.496 ' OG ' ' N ' ' A' ' 20' ' ' LYS . 8.7 p -73.07 -60.88 2.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.712 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.496 ' N ' ' OG ' ' A' ' 19' ' ' SER . 13.7 pttp -46.72 -38.67 10.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.741 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.4 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 96.1 t -61.53 -44.69 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.521 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.9 tpt -71.98 -42.37 66.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.773 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.7 OUTLIER -61.79 -36.74 81.96 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.018 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -74.99 -58.18 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.638 ' C ' HD12 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -61.12 -27.99 68.78 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.6 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.04 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.44 HG22 ' H ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -56.11 -59.89 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.776 0.322 . . . . 0.0 110.444 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 2' ' ' VAL . 15.4 t -55.53 -34.39 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.661 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -69.8 -40.83 75.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.9 mt -78.01 -34.75 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.3 mt -60.01 -46.87 88.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.581 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -46.53 55.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.533 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.15 -23.05 65.75 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.62 -32.77 74.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 0.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.75 -47.9 84.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.572 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -53.39 -39.06 63.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.824 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -59.72 -49.94 75.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.572 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -73.83 -55.49 12.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.546 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -55.18 -12.49 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.601 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.18 -60.32 8.54 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.1 p80 -71.81 -22.75 61.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.76 0.314 . . . . 0.0 110.689 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -83.68 -31.57 26.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.395 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -44.98 -15.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.695 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.8 p -57.75 -50.35 73.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.409 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -59.41 -39.21 82.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.432 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.1 t -74.46 -37.47 44.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.64 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.3 tpt -71.73 -26.4 62.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.715 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -66.1 -33.76 76.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -83.87 -58.37 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.224 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.619 ' C ' HD12 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -60.43 -27.7 67.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.611 -179.742 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.005 -1.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.419 HG23 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.713 0.292 . . . . 0.0 110.459 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.419 ' H ' HG23 ' A' ' 2' ' ' VAL . 72.9 t -52.05 -34.25 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.49 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.69 -32.83 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.737 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 86.5 mt -82.34 -32.35 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.756 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.88 -47.4 86.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.5 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -50.17 36.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.463 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.31 -23.05 59.55 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 5' ' ' ILE . . . -71.67 -36.18 70.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.847 0.356 . . . . 0.0 110.539 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.84 -26.5 68.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.51 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.3 tttt -64.42 -29.58 70.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.75 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -70.18 -39.69 75.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.569 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.429 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 61.5 mt -70.07 -55.23 15.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.453 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.04 -13.34 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.552 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.89 -62.85 5.76 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.429 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 32.5 p80 -69.4 -15.31 63.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.76 0.314 . . . . 0.0 110.639 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.42 ' C ' ' N ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -81.29 -63.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.494 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.98 -10.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.495 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -77.89 -41.09 37.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.485 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -46.03 -52.2 12.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.413 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.51 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.403 HG23 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 120.711 0.291 . . . . 0.0 110.516 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.403 ' H ' HG23 ' A' ' 2' ' ' VAL . 32.0 t -58.65 -32.79 47.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.629 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -70.01 -39.83 75.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 84.8 mt -81.45 -35.73 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.038 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.442 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 6.3 mt -58.84 -52.44 65.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.534 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -49.08 77.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.54 -23.02 62.25 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -70.96 -48.8 51.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.812 0.339 . . . . 0.0 110.628 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.89 -27.11 60.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.592 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -75.23 -45.25 41.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.684 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -58.55 -52.23 66.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.522 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.9 mt -60.14 -48.39 88.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.618 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.26 -13.22 17.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.642 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.96 -62.89 5.43 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.3 p80 -72.14 -15.3 61.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.719 0.295 . . . . 0.0 110.718 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -81.25 -63.57 1.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.488 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.33 -0.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.67 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.516 ' OG ' ' N ' ' A' ' 20' ' ' LYS . 13.1 p -72.21 -62.62 1.37 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.674 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.516 ' N ' ' OG ' ' A' ' 19' ' ' SER . 27.4 pttt -47.85 -26.49 1.69 Allowed 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.686 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.6 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 120.742 0.306 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.3 t -54.33 -33.2 25.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.655 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -69.99 -43.82 70.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.057 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.4 mt -78.68 -31.37 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.113 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mt -57.09 -52.53 64.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.759 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.94 -55.22 15.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.833 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.18 -27.74 65.63 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.04 -45.86 25.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.832 0.349 . . . . 0.0 110.632 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.13 -30.76 71.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.619 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -62.33 -32.16 72.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.621 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -75.24 -36.12 61.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.0 mt -78.32 -55.35 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.604 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.22 -22.76 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.6 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.31 -62.83 5.59 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -73.27 -15.18 61.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.792 0.329 . . . . 0.0 110.755 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.477 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -73.05 -63.56 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.472 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.11 -9.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.505 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.477 ' H ' ' C ' ' A' ' 17' ' ' LEU . 1.3 p -89.45 -47.53 7.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -46.08 -43.53 14.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.473 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.5 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.53 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.754 0.312 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.1 t -57.52 -36.51 53.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.532 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -69.85 -37.17 76.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.756 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 87.6 mt -80.24 -31.51 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.437 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 8.1 mt -60.58 -52.43 65.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.521 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -46.72 83.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.341 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.55 -23.02 57.79 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -66.1 -47.34 74.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.828 0.347 . . . . 0.0 110.435 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.47 -26.55 54.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.479 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -55.4 -33.6 63.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.807 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -68.18 -40.46 82.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.495 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.517 ' O ' ' NE2' ' A' ' 16' ' ' HIS . 18.7 mt -67.05 -55.54 17.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.506 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.62 -15.63 58.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.28 -62.91 5.65 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.517 ' NE2' ' O ' ' A' ' 13' ' ' ILE . 30.5 p80 -63.43 -16.88 61.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 110.539 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.522 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -84.9 -41.01 16.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.348 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.69 -13.36 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.418 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 17' ' ' LEU . 1.6 p -62.43 -50.34 71.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.475 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -51.26 -43.97 61.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.311 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.9 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.467 179.877 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.408 HG23 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 120.794 0.331 . . . . 0.0 110.426 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.408 ' H ' HG23 ' A' ' 2' ' ' VAL . 30.0 t -63.55 -42.67 96.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.645 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.2 OUTLIER -56.84 -46.58 81.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.957 -179.725 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.456 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 79.2 mt -68.92 -37.98 78.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.76 -52.39 65.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.545 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -48.36 63.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.53 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.46 -22.99 64.21 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 5' ' ' ILE . . . -72.95 -40.04 65.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.82 0.343 . . . . 0.0 110.542 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.42 -26.54 53.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.498 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -69.72 -30.54 68.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.611 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -62.6 -44.04 97.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.444 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.521 ' O ' ' NE2' ' A' ' 16' ' ' HIS . 96.2 mt -64.32 -54.58 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -13.75 29.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.91 -61.29 7.35 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.521 ' NE2' ' O ' ' A' ' 13' ' ' ILE . 18.9 p80 -64.8 -16.2 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.622 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -83.36 -51.2 7.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.571 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.67 -16.63 4.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.554 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 20' ' ' LYS . 3.3 p -80.9 -53.16 6.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.552 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.411 ' N ' ' OG ' ' A' ' 19' ' ' SER . 11.6 tptt -46.15 -35.92 5.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.408 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.3 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.59 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.749 0.309 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.3 t -60.16 -33.51 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.602 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -69.88 -38.1 76.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.0 mt -81.03 -32.51 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.875 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 mt -59.83 -52.53 65.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.518 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -47.61 82.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.602 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.33 -23.12 57.44 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.74 -46.34 25.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.829 0.347 . . . . 0.0 110.555 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.52 -26.5 66.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 tttp -75.08 -33.89 61.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.718 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -67.25 -43.98 80.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.608 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.04 -47.79 88.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.79 -14.97 17.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.622 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.99 -62.82 5.51 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -72.5 -15.36 61.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.766 0.317 . . . . 0.0 110.735 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -80.9 -45.81 16.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.429 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.99 -17.36 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.493 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.39 -43.43 18.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.441 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -46.01 -51.2 13.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.423 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.6 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.524 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.405 HG23 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.672 0.272 . . . . 0.0 110.504 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.405 ' H ' HG23 ' A' ' 2' ' ' VAL . 17.9 t -57.46 -31.5 38.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.758 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.82 -34.65 73.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.783 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 84.4 mt -82.45 -33.79 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.882 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.9 mt -58.03 -52.62 64.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.528 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -46.84 83.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.593 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.06 -22.94 61.09 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -64.88 -40.78 95.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.758 0.313 . . . . 0.0 110.601 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.36 -26.51 53.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.604 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -66.77 -29.63 69.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.792 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -74.91 -36.6 62.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.477 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 94.1 mt -76.27 -54.37 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.585 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.24 -13.13 6.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.64 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.73 -62.87 5.11 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.477 ' CE1' ' O ' ' A' ' 13' ' ' ILE . 16.6 p80 -64.29 -15.28 59.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 110.814 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.511 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -78.07 -46.53 20.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.545 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.67 -3.77 0.22 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.643 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.491 ' H ' ' C ' ' A' ' 17' ' ' LEU . 1.1 p -96.73 -45.02 6.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.592 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -46.11 -56.56 5.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.508 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.713 -179.876 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.4 HG23 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.743 0.306 . . . . 0.0 110.457 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.4 ' H ' HG23 ' A' ' 2' ' ' VAL . 99.9 t -61.85 -29.7 46.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.653 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -63.69 -31.65 72.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.741 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.45 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 89.4 mt -82.69 -37.63 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.78 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mt -61.9 -50.9 70.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.601 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -49.87 64.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.62 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.0 -22.99 63.21 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 5' ' ' ILE . . . -74.46 -35.97 63.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.78 0.324 . . . . 0.0 110.561 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.47 -26.69 54.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.477 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -67.97 -37.07 81.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.675 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -61.19 -45.91 92.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.609 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.516 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 94.9 mt -59.74 -55.41 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.99 -16.74 46.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.668 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.4 -62.93 5.48 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.516 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 30.7 p80 -68.51 -15.31 63.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.329 . . . . 0.0 110.66 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -78.76 -53.0 7.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.471 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.42 -10.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.464 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 17' ' ' LEU . 1.5 p -78.84 -49.41 12.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.525 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -51.63 -39.61 58.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.7 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.53 179.917 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.409 HG23 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.701 0.286 . . . . 0.0 110.413 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.409 ' H ' HG23 ' A' ' 2' ' ' VAL . 13.0 t -55.3 -29.92 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.49 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -63.3 -29.76 71.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.594 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.7 mt -82.79 -35.96 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.765 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.485 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 6.5 mt -60.73 -52.59 64.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.603 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -47.92 81.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.487 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.98 -22.94 56.25 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -60.95 -40.58 93.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.806 0.336 . . . . 0.0 110.545 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.53 -45.86 90.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.598 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -62.5 -43.89 97.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.757 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -65.05 -54.02 36.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.655 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.8 mt -59.32 -55.5 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.676 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.22 -18.67 38.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.655 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.19 -62.87 5.42 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -71.77 -15.27 62.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.768 0.318 . . . . 0.0 110.769 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -79.09 -64.1 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.602 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.47 -0.07 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.679 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.496 ' OG ' ' N ' ' A' ' 20' ' ' LYS . 8.7 p -73.07 -60.88 2.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.712 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.496 ' N ' ' OG ' ' A' ' 19' ' ' SER . 13.7 pttp -46.72 -38.67 10.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.741 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.4 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 96.1 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.521 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.407 HG23 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 120.776 0.322 . . . . 0.0 110.444 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 2' ' ' VAL . 15.4 t -55.53 -34.39 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.661 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -69.8 -40.83 75.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.9 mt -78.01 -34.75 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.3 mt -60.01 -46.87 88.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.581 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -46.53 55.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.533 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.15 -23.05 65.75 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.62 -32.77 74.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 0.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.75 -47.9 84.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.572 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -53.39 -39.06 63.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.824 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -59.72 -49.94 75.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.572 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -73.83 -55.49 12.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.546 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -55.18 -12.49 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.601 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.18 -60.32 8.54 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.1 p80 -71.81 -22.75 61.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.76 0.314 . . . . 0.0 110.689 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -83.68 -31.57 26.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.395 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -44.98 -15.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.695 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.8 p -57.75 -50.35 73.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.409 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -59.41 -39.21 82.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.432 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.1 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.64 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.427 ' H ' HG22 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -52.53 -60.3 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.713 0.292 . . . . 0.0 110.459 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.419 ' H ' HG23 ' A' ' 2' ' ' VAL . 72.9 t -52.05 -34.25 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.49 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.69 -32.83 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.737 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 86.5 mt -82.34 -32.35 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.756 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.88 -47.4 86.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.5 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -50.17 36.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.463 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.31 -23.05 59.55 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 5' ' ' ILE . . . -71.67 -36.18 70.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.847 0.356 . . . . 0.0 110.539 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.84 -26.5 68.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.51 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.3 tttt -64.42 -29.58 70.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.75 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -70.18 -39.69 75.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.569 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.429 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 61.5 mt -70.07 -55.23 15.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.453 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.04 -13.34 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.552 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.89 -62.85 5.76 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.429 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 32.5 p80 -69.4 -15.31 63.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.76 0.314 . . . . 0.0 110.639 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.42 ' C ' ' N ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -81.29 -63.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.494 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.98 -10.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.495 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -77.89 -41.09 37.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.485 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -46.03 -52.2 12.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.413 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 t -63.6 -52.76 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.51 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.0 tpt -56.33 -29.01 60.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.598 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -66.64 -27.85 68.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.568 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.3 tptt -71.31 -58.42 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.803 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.509 HD23 ' H ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -74.45 49.3 0.37 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.594 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 120.066 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.418 HG22 ' H ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -54.54 -60.02 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.711 0.291 . . . . 0.0 110.516 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.403 ' H ' HG23 ' A' ' 2' ' ' VAL . 32.0 t -58.65 -32.79 47.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.629 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -70.01 -39.83 75.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 84.8 mt -81.45 -35.73 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.038 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.442 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 6.3 mt -58.84 -52.44 65.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.534 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -49.08 77.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.54 -23.02 62.25 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -70.96 -48.8 51.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.812 0.339 . . . . 0.0 110.628 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.89 -27.11 60.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.592 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -75.23 -45.25 41.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.684 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -58.55 -52.23 66.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.522 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.9 mt -60.14 -48.39 88.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.618 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.26 -13.22 17.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.642 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.96 -62.89 5.43 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.3 p80 -72.14 -15.3 61.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.719 0.295 . . . . 0.0 110.718 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -81.25 -63.57 1.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.488 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.33 -0.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.67 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.516 ' OG ' ' N ' ' A' ' 20' ' ' LYS . 13.1 p -72.21 -62.62 1.37 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.674 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.516 ' N ' ' OG ' ' A' ' 19' ' ' SER . 27.4 pttt -47.85 -26.49 1.69 Allowed 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.686 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.6 t -73.7 -52.95 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.496 ' O ' ' SD ' ' A' ' 22' ' ' MET . 10.8 tmm? -69.83 -29.22 66.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.687 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.43 -27.77 69.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.659 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -67.63 -58.48 4.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.428 HD23 ' H ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -76.26 53.38 0.81 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.65 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.058 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.451 ' H ' HG22 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -60.73 -59.66 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.742 0.306 . . . . 0.0 110.438 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.3 t -54.33 -33.2 25.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.655 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -69.99 -43.82 70.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.057 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.4 mt -78.68 -31.37 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.113 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mt -57.09 -52.53 64.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.759 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.94 -55.22 15.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.833 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.18 -27.74 65.63 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.04 -45.86 25.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.832 0.349 . . . . 0.0 110.632 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.13 -30.76 71.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.619 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -62.33 -32.16 72.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.621 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -75.24 -36.12 61.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.0 mt -78.32 -55.35 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.604 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.22 -22.76 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.6 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.31 -62.83 5.59 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -73.27 -15.18 61.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.792 0.329 . . . . 0.0 110.755 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.477 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -73.05 -63.56 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.472 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.11 -9.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.505 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.477 ' H ' ' C ' ' A' ' 17' ' ' LEU . 1.3 p -89.45 -47.53 7.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -46.08 -43.53 14.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.473 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.5 t -66.07 -52.72 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.53 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.477 ' SD ' HD11 ' A' ' 25' ' ' LEU . 1.2 tpt -62.98 -26.32 68.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.707 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.32 -28.22 69.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.817 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -73.02 -58.59 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.89 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.483 HD23 ' H ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -74.05 59.4 0.72 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.699 -179.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.022 -1.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -59.76 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.312 . . . . 0.0 110.36 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.1 t -57.52 -36.51 53.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.532 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -69.85 -37.17 76.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.756 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 87.6 mt -80.24 -31.51 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.437 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 8.1 mt -60.58 -52.43 65.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.521 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -46.72 83.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.341 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.55 -23.02 57.79 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -66.1 -47.34 74.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.828 0.347 . . . . 0.0 110.435 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.47 -26.55 54.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.479 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -55.4 -33.6 63.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.807 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -68.18 -40.46 82.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.495 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.517 ' O ' ' NE2' ' A' ' 16' ' ' HIS . 18.7 mt -67.05 -55.54 17.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.506 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.62 -15.63 58.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.28 -62.91 5.65 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.517 ' NE2' ' O ' ' A' ' 13' ' ' ILE . 30.5 p80 -63.43 -16.88 61.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 110.539 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.522 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -84.9 -41.01 16.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.348 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.69 -13.36 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.418 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 17' ' ' LEU . 1.6 p -62.43 -50.34 71.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.475 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -51.26 -43.97 61.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.311 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.9 t -71.39 -38.48 69.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.467 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.9 tpt -71.98 -26.94 62.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.581 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.81 -27.25 62.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.669 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -58.19 -50.94 71.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.011 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 pp -53.96 -24.7 17.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.664 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.047 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.442 ' H ' HG22 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -52.33 -60.01 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.331 . . . . 0.0 110.426 -179.863 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.408 ' H ' HG23 ' A' ' 2' ' ' VAL . 30.0 t -63.55 -42.67 96.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.645 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.2 OUTLIER -56.84 -46.58 81.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.957 -179.725 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.456 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 79.2 mt -68.92 -37.98 78.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.76 -52.39 65.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.545 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -48.36 63.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.53 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.46 -22.99 64.21 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 5' ' ' ILE . . . -72.95 -40.04 65.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.82 0.343 . . . . 0.0 110.542 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.42 -26.54 53.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.498 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -69.72 -30.54 68.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.611 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -62.6 -44.04 97.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.444 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.521 ' O ' ' NE2' ' A' ' 16' ' ' HIS . 96.2 mt -64.32 -54.58 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -13.75 29.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.91 -61.29 7.35 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.521 ' NE2' ' O ' ' A' ' 13' ' ' ILE . 18.9 p80 -64.8 -16.2 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.622 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -83.36 -51.2 7.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.571 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.67 -16.63 4.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.554 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 20' ' ' LYS . 3.3 p -80.9 -53.16 6.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.552 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.411 ' N ' ' OG ' ' A' ' 19' ' ' SER . 11.6 tptt -46.15 -35.92 5.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.408 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.3 t -71.19 -52.94 23.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.59 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.454 ' C ' ' SD ' ' A' ' 22' ' ' MET . 1.1 tmt? -64.37 -26.38 68.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.594 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.45 -27.98 69.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.695 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -73.16 -58.58 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.879 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.455 HD23 ' H ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -73.26 25.41 0.06 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.595 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 120.095 -1.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.447 HG22 ' H ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -52.47 -59.88 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 0.0 110.51 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.3 t -60.16 -33.51 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.602 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -69.88 -38.1 76.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.0 mt -81.03 -32.51 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.875 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 mt -59.83 -52.53 65.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.518 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -47.61 82.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.602 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.33 -23.12 57.44 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.74 -46.34 25.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.829 0.347 . . . . 0.0 110.555 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.52 -26.5 66.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 tttp -75.08 -33.89 61.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.718 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -67.25 -43.98 80.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.608 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.04 -47.79 88.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.79 -14.97 17.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.622 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.99 -62.82 5.51 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -72.5 -15.36 61.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.766 0.317 . . . . 0.0 110.735 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -80.9 -45.81 16.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.429 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.99 -17.36 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.493 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 23' ' ' ASN . 1.0 OUTLIER -81.39 -43.43 18.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.441 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -46.01 -51.2 13.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.423 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.6 t -62.14 -44.89 99.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.524 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.4 tpt -67.05 -27.34 67.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.58 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 19' ' ' SER . 1.2 m-80 -66.96 -27.95 67.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.676 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -73.99 -58.31 3.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.885 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.744 ' C ' HD12 ' A' ' 25' ' ' LEU . 2.6 pp -64.41 -22.11 66.85 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.731 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . 0.441 ' N ' HD12 ' A' ' 25' ' ' LEU . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 120.067 -1.646 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.584 -1.407 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.433 ' H ' HG22 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -52.77 -60.18 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.672 0.272 . . . . 0.0 110.504 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.405 ' H ' HG23 ' A' ' 2' ' ' VAL . 17.9 t -57.46 -31.5 38.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.758 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.82 -34.65 73.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.783 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 84.4 mt -82.45 -33.79 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.882 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.9 mt -58.03 -52.62 64.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.528 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -46.84 83.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.593 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.06 -22.94 61.09 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -64.88 -40.78 95.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.758 0.313 . . . . 0.0 110.601 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.36 -26.51 53.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.604 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -66.77 -29.63 69.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.792 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -74.91 -36.6 62.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.477 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 94.1 mt -76.27 -54.37 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.585 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.24 -13.13 6.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.64 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.73 -62.87 5.11 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.477 ' CE1' ' O ' ' A' ' 13' ' ' ILE . 16.6 p80 -64.29 -15.28 59.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 110.814 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.511 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -78.07 -46.53 20.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.545 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.67 -3.77 0.22 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.643 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.491 ' H ' ' C ' ' A' ' 17' ' ' LEU . 1.1 p -96.73 -45.02 6.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.592 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -46.11 -56.56 5.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.508 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.8 t -61.53 -43.98 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.713 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.2 tpt -63.26 -31.95 73.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.802 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -74.08 -28.01 61.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.628 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -74.32 -58.26 3.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.901 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.601 ' C ' HD12 ' A' ' 25' ' ' LEU . 1.2 pp -60.23 -26.34 66.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.563 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 120.026 -1.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.408 HG22 ' H ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -58.01 -60.1 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.743 0.306 . . . . 0.0 110.457 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.4 ' H ' HG23 ' A' ' 2' ' ' VAL . 99.9 t -61.85 -29.7 46.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.653 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -63.69 -31.65 72.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.741 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.45 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 89.4 mt -82.69 -37.63 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.78 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mt -61.9 -50.9 70.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.601 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -49.87 64.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.62 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.0 -22.99 63.21 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 5' ' ' ILE . . . -74.46 -35.97 63.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.78 0.324 . . . . 0.0 110.561 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.47 -26.69 54.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.477 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -67.97 -37.07 81.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.675 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -61.19 -45.91 92.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.609 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.516 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 94.9 mt -59.74 -55.41 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.99 -16.74 46.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.668 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.4 -62.93 5.48 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.516 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 30.7 p80 -68.51 -15.31 63.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.329 . . . . 0.0 110.66 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -78.76 -53.0 7.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.471 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.42 -10.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.464 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 17' ' ' LEU . 1.5 p -78.84 -49.41 12.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.525 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -51.63 -39.61 58.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.7 t -67.11 -45.59 86.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.53 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.6 tpt -68.86 -32.92 72.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.667 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -70.89 -27.7 64.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.65 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -65.2 -57.99 7.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.957 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.514 ' C ' HD12 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -58.94 -27.12 65.02 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.576 -179.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 120.047 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.422 ' H ' HG22 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -67.5 -60.13 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.701 0.286 . . . . 0.0 110.413 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.409 ' H ' HG23 ' A' ' 2' ' ' VAL . 13.0 t -55.3 -29.92 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.49 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -63.3 -29.76 71.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.594 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.7 mt -82.79 -35.96 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.765 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.485 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 6.5 mt -60.73 -52.59 64.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.603 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -47.92 81.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.487 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.98 -22.94 56.25 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -60.95 -40.58 93.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.806 0.336 . . . . 0.0 110.545 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.53 -45.86 90.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.598 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -62.5 -43.89 97.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.757 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -65.05 -54.02 36.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.655 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.8 mt -59.32 -55.5 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.676 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.22 -18.67 38.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.655 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.19 -62.87 5.42 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -71.77 -15.27 62.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.768 0.318 . . . . 0.0 110.769 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -79.09 -64.1 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.602 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.47 -0.07 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.679 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.496 ' OG ' ' N ' ' A' ' 20' ' ' LYS . 8.7 p -73.07 -60.88 2.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.712 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.496 ' N ' ' OG ' ' A' ' 19' ' ' SER . 13.7 pttp -46.72 -38.67 10.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.741 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.4 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 96.1 t -61.53 -44.69 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.521 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.9 tpt -71.98 -42.37 66.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.773 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.557 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -61.79 -36.74 81.96 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.018 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -74.99 -58.18 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.638 ' C ' HD12 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -61.12 -27.99 68.78 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.6 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.04 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.44 HG22 ' H ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -56.11 -59.89 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.776 0.322 . . . . 0.0 110.444 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 2' ' ' VAL . 15.4 t -55.53 -34.39 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.661 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -69.8 -40.83 75.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.9 mt -78.01 -34.75 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.3 mt -60.01 -46.87 88.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.581 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -46.53 55.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.533 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.15 -23.05 65.75 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.62 -32.77 74.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 0.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.75 -47.9 84.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.572 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -53.39 -39.06 63.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.824 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -59.72 -49.94 75.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.572 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -73.83 -55.49 12.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.546 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -55.18 -12.49 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.601 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.18 -60.32 8.54 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.1 p80 -71.81 -22.75 61.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.76 0.314 . . . . 0.0 110.689 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -83.68 -31.57 26.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.395 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -44.98 -15.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.695 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.8 p -57.75 -50.35 73.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.409 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -59.41 -39.21 82.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.432 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.1 t -74.46 -37.47 44.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.64 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.3 tpt -71.73 -26.4 62.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.715 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -66.1 -33.76 76.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -83.87 -58.37 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.224 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.619 ' C ' HD12 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -60.43 -27.7 67.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.611 -179.742 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.005 -1.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_