data_5u9x_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 5u9x _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 . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.813 0.34 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.9 t -57.15 -45.69 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -54.89 -41.06 70.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.489 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.424 HG22 HD13 ' A' ' 5' ' ' ILE . 96.0 mt -70.03 -51.85 35.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.444 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tt -58.1 -58.63 7.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -53.95 -43.26 69.73 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.678 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.72 -25.96 59.49 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.72 -46.16 22.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.81 0.338 . . . . 0.0 110.504 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.0 -32.69 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.666 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 tttp -59.3 -42.69 91.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.593 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -72.16 -43.41 64.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.4 mt -69.89 -54.37 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.818 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.76 -27.94 68.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.745 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.44 -52.17 54.26 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.522 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -65.0 -42.11 94.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.936 0.398 . . . . 0.0 110.565 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.522 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 2.3 tt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.946 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.9 t -56.33 -43.04 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.575 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -57.24 -46.96 82.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.548 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 53.4 mt -71.31 -46.48 64.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.639 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tt -52.24 -51.79 56.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.482 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -53.58 -45.42 69.97 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.54 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.1 -25.59 68.28 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.77 -48.5 59.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.851 0.357 . . . . 0.0 110.509 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.65 -37.72 87.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.47 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -62.34 -30.24 71.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.774 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -58.14 -30.67 66.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.747 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.408 HD12 ' H ' ' A' ' 13' ' ' ILE . 4.2 mp -78.58 -43.92 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.417 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.69 -25.4 53.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.558 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.92 -51.89 21.92 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.546 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.88 -44.92 40.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.865 0.364 . . . . 0.0 110.445 -179.725 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.546 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 6.1 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.68 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.749 0.309 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.6 t -54.81 -34.52 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.54 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -69.12 -53.33 20.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 9' ' ' ALA . 11.6 mm -62.13 -42.94 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.66 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tt -48.48 -58.84 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -53.9 -47.24 71.33 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.797 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.29 -25.66 73.57 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -74.14 -43.59 56.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.756 0.312 . . . . 0.0 110.664 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.78 -47.23 83.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.504 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -59.17 -37.78 78.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.744 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.09 -44.38 97.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.663 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.423 HG21 HD11 ' A' ' 13' ' ' ILE . 87.7 mt -61.11 -41.27 88.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.695 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.21 -25.54 68.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.737 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.69 -55.61 23.96 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.615 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -57.17 -46.6 82.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.978 0.418 . . . . 0.0 110.54 -179.799 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.615 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 6.3 tp . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.042 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.813 0.34 . . . . 0.0 110.425 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.4 t -53.9 -37.45 33.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.595 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -70.01 -48.7 57.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.56 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.73 -41.99 94.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.462 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.31 -25.82 64.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.28 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -60.59 -51.19 70.46 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.72 -25.52 2.28 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.08 -44.98 28.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.799 0.333 . . . . 0.0 110.526 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.96 -43.34 86.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.478 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -59.35 -37.37 77.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.683 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -58.69 -43.23 89.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.533 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 54.9 mt -56.4 -43.76 78.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.456 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.1 -25.99 68.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.424 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.25 -51.75 36.13 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.433 ' ND1' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -54.46 -40.04 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 0.0 110.322 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.419 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 4.1 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.699 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.768 0.318 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.5 t -54.01 -30.86 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.53 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -61.15 -49.34 77.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.544 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.421 HG23 HD13 ' A' ' 5' ' ' ILE . 93.5 mt -63.76 -49.78 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.475 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tt -47.81 -54.75 11.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.352 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -53.67 -50.76 65.11 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.7 -25.71 61.57 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.93 -48.31 38.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.871 0.367 . . . . 0.0 110.507 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.43 -38.4 80.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.414 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -61.23 -43.08 99.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.593 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -64.91 -36.72 85.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.571 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.4 HD12 HG21 ' A' ' 13' ' ' ILE . 96.4 mt -70.74 -42.62 77.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.547 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.69 -25.62 53.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.65 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.61 -54.31 34.88 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.608 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -57.44 -46.4 83.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.419 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.608 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 6.0 tp . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.842 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.799 0.333 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 63.5 t -54.06 -36.64 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.587 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.22 -49.3 44.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 86.4 mt -63.13 -53.41 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.528 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -47.51 -39.55 16.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -55.42 -52.77 62.47 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.738 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.7 -25.68 63.86 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.44 -44.15 30.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.859 0.362 . . . . 0.0 110.545 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.46 -28.69 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.49 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -56.54 -39.17 72.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.669 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -63.63 -53.24 54.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.528 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.491 ' CD1' ' H ' ' A' ' 13' ' ' ILE . 2.0 mp -56.94 -40.86 75.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.385 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.03 -31.13 66.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.52 -58.42 7.83 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -30.14 68.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.775 0.322 . . . . 0.0 110.372 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.8 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.793 -179.871 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.742 0.306 . . . . 0.0 110.486 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.3 t -54.58 -36.25 34.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.493 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.59 -52.93 62.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.625 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.6 mt -54.71 -46.46 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.421 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.87 -42.48 75.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.306 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -54.71 -53.2 58.01 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.716 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.37 -25.69 63.11 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.63 -33.63 69.1 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.734 0.302 . . . . 0.0 110.514 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.34 -34.02 74.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.451 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -62.57 -34.86 77.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.663 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.22 -35.66 81.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.9 mt -76.37 -45.92 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.443 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.35 -33.08 70.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.442 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.68 -53.33 20.67 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -60.89 -32.77 72.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.303 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.447 ' N ' ' CD2' ' A' ' 16' ' ' HIS . 4.5 tp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.787 0.327 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.9 t -57.34 -42.75 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.496 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -58.55 -49.85 75.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.6 mt -65.82 -32.57 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.552 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 tt -74.83 -33.8 62.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -56.93 -53.37 58.8 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.713 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.75 -25.63 73.0 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.41 -48.27 61.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.811 0.339 . . . . 0.0 110.702 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.35 87.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.699 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -61.68 -37.56 84.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.783 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -71.76 -43.35 65.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.682 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -69.53 -48.42 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.718 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.05 -25.81 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.649 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.42 -64.22 2.56 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.428 ' CD2' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -58.95 -29.96 67.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.476 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.428 ' N ' ' CD2' ' A' ' 16' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.666 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.786 0.327 . . . . 0.0 110.531 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.6 t -58.9 -35.84 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.592 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -66.55 -48.03 70.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.566 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.57 -40.33 86.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.582 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tt -67.08 -24.96 66.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -54.87 -52.97 61.17 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.714 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.78 -25.99 68.19 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.75 -38.87 45.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.872 0.368 . . . . 0.0 110.497 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.17 -34.2 71.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.533 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -57.36 -39.74 76.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.395 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -69.32 -38.38 78.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.467 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.6 mt -67.45 -38.03 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.491 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.2 -26.2 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.55 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.67 -64.08 2.11 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.498 ' ND1' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -57.57 -32.52 67.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.362 . . . . 0.0 110.34 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tp . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.944 -179.869 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.83 0.348 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -55.0 -45.23 76.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.584 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -67.84 -52.5 36.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.579 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.8 mt -56.43 -35.49 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.613 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -71.63 -34.84 70.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.533 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -53.89 -44.7 70.7 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.606 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.33 -25.55 60.51 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.18 -48.42 17.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.758 0.313 . . . . 0.0 110.578 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.94 -38.79 83.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -59.35 -35.66 74.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.733 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.77 -42.61 66.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.505 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.1 mt -74.78 -54.18 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.681 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.56 -25.48 68.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.713 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.36 -55.14 30.82 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.546 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -70.66 -42.89 70.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.324 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.546 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 5.5 tp . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.803 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.4 m -52.43 -35.68 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-O 120.813 0.34 . . . . 0.0 110.791 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.9 t -57.15 -45.69 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -54.89 -41.06 70.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.489 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.424 HG22 HD13 ' A' ' 5' ' ' ILE . 96.0 mt -70.03 -51.85 35.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.444 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tt -58.1 -58.63 7.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -53.95 -43.26 69.73 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.678 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.72 -25.96 59.49 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.72 -46.16 22.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.81 0.338 . . . . 0.0 110.504 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.0 -32.69 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.666 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 tttp -59.3 -42.69 91.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.593 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -72.16 -43.41 64.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.4 mt -69.89 -54.37 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.818 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.76 -27.94 68.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.745 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.44 -52.17 54.26 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.522 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -65.0 -42.11 94.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.936 0.398 . . . . 0.0 110.565 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.522 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 2.3 tt -62.62 -58.87 5.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.946 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.27 -16.04 30.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 p -58.84 -37.37 76.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.947 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -23.39 51.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.86 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.501 ' C ' ' H ' ' A' ' 23' ' ' ASN . 64.4 t -69.65 -34.8 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.942 0.401 . . . . 0.0 110.808 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.613 ' C ' HD21 ' A' ' 23' ' ' ASN . 10.0 mtt -61.11 -1.18 0.42 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.375 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.649 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -134.52 -70.18 0.51 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.117 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 120.118 -1.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 m -70.49 -34.1 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.811 0.339 . . . . 0.0 110.49 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.9 t -56.33 -43.04 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.575 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -57.24 -46.96 82.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.548 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 53.4 mt -71.31 -46.48 64.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.639 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tt -52.24 -51.79 56.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.482 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -53.58 -45.42 69.97 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.54 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.1 -25.59 68.28 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.77 -48.5 59.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.851 0.357 . . . . 0.0 110.509 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.65 -37.72 87.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.47 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -62.34 -30.24 71.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.774 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -58.14 -30.67 66.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.747 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.408 HD12 ' H ' ' A' ' 13' ' ' ILE . 4.2 mp -78.58 -43.92 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.417 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.69 -25.4 53.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.558 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 19' ' ' SER . . . -69.92 -51.89 21.92 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.546 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.88 -44.92 40.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.865 0.364 . . . . 0.0 110.445 -179.725 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.546 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 6.1 tp -67.62 -54.26 21.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.68 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.93 -14.25 52.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.797 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 15' ' ' GLY . 1.2 p -54.9 -38.63 67.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.937 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' HZ2' ' CG2' ' A' ' 21' ' ' VAL . 1.6 pttp -83.54 -21.76 32.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.901 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.484 ' C ' ' H ' ' A' ' 23' ' ' ASN . 84.9 t -65.01 -31.64 54.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.929 0.395 . . . . 0.0 110.619 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.618 ' C ' HD21 ' A' ' 23' ' ' ASN . 29.0 mtt -63.22 -1.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.185 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.65 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -136.02 -62.82 0.67 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.048 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 120.14 -1.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 N-CA-C 109.449 -1.461 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.6 t -55.37 -41.67 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.749 0.309 . . . . 0.0 110.728 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.6 t -54.81 -34.52 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.54 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -69.12 -53.33 20.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 9' ' ' ALA . 11.6 mm -62.13 -42.94 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.66 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tt -48.48 -58.84 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -53.9 -47.24 71.33 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.797 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.29 -25.66 73.57 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -74.14 -43.59 56.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.756 0.312 . . . . 0.0 110.664 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.78 -47.23 83.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.504 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -59.17 -37.78 78.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.744 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.09 -44.38 97.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.663 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.423 HG21 HD11 ' A' ' 13' ' ' ILE . 87.7 mt -61.11 -41.27 88.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.695 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.21 -25.54 68.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.737 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.69 -55.61 23.96 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.615 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -57.17 -46.6 82.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.978 0.418 . . . . 0.0 110.54 -179.799 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.615 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 6.3 tp -62.28 -48.39 80.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.042 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.1 -17.0 63.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.058 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 p -53.46 -40.2 65.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.789 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -78.34 -25.42 46.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.762 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.9 -26.3 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.713 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.595 ' C ' HD21 ' A' ' 23' ' ' ASN . 31.0 mtm -68.41 -1.35 6.29 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.241 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.654 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -135.55 -61.11 0.73 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.095 -179.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 120.094 -1.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.86 -31.84 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-O 120.813 0.34 . . . . 0.0 110.425 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.4 t -53.9 -37.45 33.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.595 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -70.01 -48.7 57.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.56 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.73 -41.99 94.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.462 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.31 -25.82 64.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.28 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -60.59 -51.19 70.46 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.72 -25.52 2.28 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.08 -44.98 28.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.799 0.333 . . . . 0.0 110.526 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.96 -43.34 86.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.478 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -59.35 -37.37 77.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.683 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -58.69 -43.23 89.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.533 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 54.9 mt -56.4 -43.76 78.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.456 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.1 -25.99 68.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.424 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.25 -51.75 36.13 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.433 ' ND1' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -54.46 -40.04 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 0.0 110.322 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.419 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 4.1 tp -70.31 -42.86 71.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.699 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.07 -15.3 3.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.57 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 p -67.7 -34.09 76.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -20.89 62.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.727 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.515 ' C ' ' H ' ' A' ' 23' ' ' ASN . 56.3 t -61.81 -30.37 48.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.587 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 43.8 mtm -61.44 -0.74 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.295 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.515 ' H ' ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -143.51 -58.94 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.372 -179.69 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 120.16 -1.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -70.54 -41.95 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.768 0.318 . . . . 0.0 110.547 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.5 t -54.01 -30.86 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.53 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -61.15 -49.34 77.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.544 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.421 HG23 HD13 ' A' ' 5' ' ' ILE . 93.5 mt -63.76 -49.78 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.475 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tt -47.81 -54.75 11.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.352 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -53.67 -50.76 65.11 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.7 -25.71 61.57 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.93 -48.31 38.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.871 0.367 . . . . 0.0 110.507 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.43 -38.4 80.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.414 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -61.23 -43.08 99.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.593 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -64.91 -36.72 85.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.571 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.4 HD12 HG21 ' A' ' 13' ' ' ILE . 96.4 mt -70.74 -42.62 77.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.547 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.69 -25.62 53.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.65 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.61 -54.31 34.88 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.608 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -57.44 -46.4 83.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.419 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.608 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 6.0 tp -50.28 -13.7 0.13 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.842 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' H ' ' C ' ' A' ' 16' ' ' HIS . . . -75.71 -15.42 60.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.078 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 p -57.09 -33.81 67.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.077 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.29 -26.55 26.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.86 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' MET . 94.5 t -65.96 -25.11 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.737 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.603 ' O ' ' CG ' ' A' ' 23' ' ' ASN . 38.7 mtp -43.12 -30.06 0.42 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.603 ' CG ' ' O ' ' A' ' 22' ' ' MET . 3.8 m120 136.27 59.75 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 O-C-N 124.552 1.158 . . . . 0.0 109.886 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 120.229 -1.544 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -45.65 73.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.485 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 63.5 t -54.06 -36.64 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.587 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.22 -49.3 44.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 86.4 mt -63.13 -53.41 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.528 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -47.51 -39.55 16.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -55.42 -52.77 62.47 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.738 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.7 -25.68 63.86 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.44 -44.15 30.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.859 0.362 . . . . 0.0 110.545 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.46 -28.69 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.49 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -56.54 -39.17 72.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.669 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -63.63 -53.24 54.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.528 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.491 ' CD1' ' H ' ' A' ' 13' ' ' ILE . 2.0 mp -56.94 -40.86 75.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.385 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.03 -31.13 66.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.52 -58.42 7.83 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -30.14 68.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.775 0.322 . . . . 0.0 110.372 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' A' ' 19' ' ' SER . 8.8 tp -73.04 -55.75 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.793 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.98 -9.18 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.661 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.439 ' H ' ' C ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -68.2 -20.66 64.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.012 -179.785 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.24 -22.15 16.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.945 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 22' ' ' MET . 52.5 t -52.28 -17.42 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.816 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.622 ' O ' ' CG ' ' A' ' 23' ' ' ASN . 19.8 mtt -42.85 -32.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.622 ' CG ' ' O ' ' A' ' 22' ' ' MET . 3.8 m120 137.0 59.81 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 O-C-N 124.53 1.144 . . . . 0.0 109.883 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 120.164 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -70.53 -35.36 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 0.0 110.486 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.3 t -54.58 -36.25 34.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.493 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.59 -52.93 62.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.625 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.6 mt -54.71 -46.46 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.421 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.87 -42.48 75.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.306 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -54.71 -53.2 58.01 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.716 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.37 -25.69 63.11 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.63 -33.63 69.1 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.734 0.302 . . . . 0.0 110.514 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.34 -34.02 74.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.451 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -62.57 -34.86 77.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.663 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.22 -35.66 81.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.9 mt -76.37 -45.92 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.443 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.35 -33.08 70.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.442 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.68 -53.33 20.67 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -60.89 -32.77 72.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.303 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.447 ' N ' ' CD2' ' A' ' 16' ' ' HIS . 4.5 tp -66.94 -58.56 4.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.44 -11.06 3.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.727 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.8 -34.1 77.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.57 -19.63 18.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.716 0.293 . . . . 0.0 111.298 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 68.2 t -54.94 -16.67 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.961 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.604 ' O ' ' CG ' ' A' ' 23' ' ' ASN . 17.4 mtt -43.64 -31.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.604 ' CG ' ' O ' ' A' ' 22' ' ' MET . 3.9 m120 136.52 59.4 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 O-C-N 124.551 1.157 . . . . 0.0 109.977 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 120.224 -1.548 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.285 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 m -70.22 -30.89 45.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 110.456 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.9 t -57.34 -42.75 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.496 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -58.55 -49.85 75.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.6 mt -65.82 -32.57 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.552 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 tt -74.83 -33.8 62.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -56.93 -53.37 58.8 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.713 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.75 -25.63 73.0 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.41 -48.27 61.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.811 0.339 . . . . 0.0 110.702 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.35 87.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.699 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -61.68 -37.56 84.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.783 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -71.76 -43.35 65.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.682 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -69.53 -48.42 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.718 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.05 -25.81 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.649 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.42 -64.22 2.56 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.428 ' CD2' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -58.95 -29.96 67.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.476 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.428 ' N ' ' CD2' ' A' ' 16' ' ' HIS . 0.2 OUTLIER -68.17 -58.88 3.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.666 -179.707 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.38 -9.04 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.823 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -31.27 72.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.121 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.39 -23.53 18.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.91 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -62.15 -21.47 26.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.803 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.622 ' O ' ' CG ' ' A' ' 23' ' ' ASN . 35.0 mtp -43.63 -30.89 0.67 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.622 ' CG ' ' O ' ' A' ' 22' ' ' MET . 3.9 m120 136.62 59.74 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 O-C-N 124.526 1.141 . . . . 0.0 109.878 179.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.202 -1.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.72 -31.17 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.531 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.6 t -58.9 -35.84 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.592 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -66.55 -48.03 70.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.566 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.57 -40.33 86.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.582 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tt -67.08 -24.96 66.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -54.87 -52.97 61.17 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.714 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.78 -25.99 68.19 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.75 -38.87 45.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.872 0.368 . . . . 0.0 110.497 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.17 -34.2 71.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.533 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -57.36 -39.74 76.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.395 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -69.32 -38.38 78.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.467 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.6 mt -67.45 -38.03 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.491 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.2 -26.2 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.55 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.67 -64.08 2.11 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.498 ' ND1' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -57.57 -32.52 67.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.362 . . . . 0.0 110.34 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.96 -49.88 74.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.944 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.41 -14.26 60.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.034 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 p -60.94 -31.41 70.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.152 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' HZ3' ' CG2' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -95.79 -18.99 19.98 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.968 -179.739 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.407 ' CG2' ' HZ3' ' A' ' 20' ' ' LYS . 66.6 t -61.1 -21.38 24.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.7 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.622 ' O ' ' CG ' ' A' ' 23' ' ' ASN . 36.8 mtp -42.08 -31.48 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.622 ' CG ' ' O ' ' A' ' 22' ' ' MET . 4.0 m120 136.55 60.05 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 O-C-N 124.543 1.152 . . . . 0.0 109.878 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.304 -1.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.2 m -70.49 -32.57 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.83 0.348 . . . . 0.0 110.579 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -55.0 -45.23 76.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.584 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -67.84 -52.5 36.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.579 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.8 mt -56.43 -35.49 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.613 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -71.63 -34.84 70.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.533 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -53.89 -44.7 70.7 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.606 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.33 -25.55 60.51 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.18 -48.42 17.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.758 0.313 . . . . 0.0 110.578 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.94 -38.79 83.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -59.35 -35.66 74.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.733 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.77 -42.61 66.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.505 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.1 mt -74.78 -54.18 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.681 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -64.56 -25.48 68.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.713 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.36 -55.14 30.82 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.546 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -70.66 -42.89 70.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.324 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.546 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 5.5 tp -63.3 -58.62 6.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.803 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 14' ' ' ALA . . . -60.44 -15.85 30.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.925 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 p -54.64 -31.72 57.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.899 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -93.25 -21.93 19.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.818 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 22' ' ' MET . 93.4 t -67.11 -21.61 28.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.804 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.623 ' O ' ' CG ' ' A' ' 23' ' ' ASN . 6.7 mtt -42.01 -31.4 0.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.623 ' CG ' ' O ' ' A' ' 22' ' ' MET . 3.8 m120 136.57 59.52 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 O-C-N 124.552 1.157 . . . . 0.0 109.885 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 120.287 -1.508 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.813 0.34 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.9 t -57.15 -45.69 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -54.89 -41.06 70.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.489 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.0 mt -70.03 -51.85 35.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.444 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.495 HD23 ' O ' ' A' ' 6' ' ' LEU . 1.8 tt -58.1 -58.63 7.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -53.95 -43.26 69.73 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.678 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.72 -25.96 59.49 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.72 -46.16 22.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.81 0.338 . . . . 0.0 110.504 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.0 -32.69 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.666 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 tttp -59.3 -42.69 91.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.593 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -72.16 -43.41 64.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.4 mt -69.89 -54.37 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.818 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.76 -27.94 68.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.745 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.44 -52.17 54.26 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.522 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -65.0 -42.11 94.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.936 0.398 . . . . 0.0 110.565 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 17' ' ' LEU . 2.3 tt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.946 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.9 t -56.33 -43.04 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.575 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -57.24 -46.96 82.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.548 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 53.4 mt -71.31 -46.48 64.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.639 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 6' ' ' LEU . 1.2 tt -52.24 -51.79 56.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.482 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -53.58 -45.42 69.97 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.54 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.1 -25.59 68.28 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -69.77 -48.5 59.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.851 0.357 . . . . 0.0 110.509 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.65 -37.72 87.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.47 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -62.34 -30.24 71.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.774 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -58.14 -30.67 66.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.747 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.2 mp -78.58 -43.92 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.417 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.69 -25.4 53.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.558 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.92 -51.89 21.92 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.546 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.88 -44.92 40.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.865 0.364 . . . . 0.0 110.445 -179.725 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.546 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 6.1 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.68 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.749 0.309 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.6 t -54.81 -34.52 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.54 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -69.12 -53.33 20.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 9' ' ' ALA . 11.6 mm -62.13 -42.94 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.66 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.5 tt -48.48 -58.84 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -53.9 -47.24 71.33 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.797 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.29 -25.66 73.57 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -74.14 -43.59 56.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.756 0.312 . . . . 0.0 110.664 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.78 -47.23 83.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.504 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -59.17 -37.78 78.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.744 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.09 -44.38 97.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.663 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.11 -41.27 88.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.695 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.21 -25.54 68.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.737 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.69 -55.61 23.96 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.615 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -57.17 -46.6 82.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.978 0.418 . . . . 0.0 110.54 -179.799 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.615 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 6.3 tp . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.042 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.813 0.34 . . . . 0.0 110.425 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.4 t -53.9 -37.45 33.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.595 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -70.01 -48.7 57.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.56 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.73 -41.99 94.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.462 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -59.31 -25.82 64.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.28 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -60.59 -51.19 70.46 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.72 -25.52 2.28 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -77.08 -44.98 28.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.799 0.333 . . . . 0.0 110.526 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.96 -43.34 86.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.478 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -59.35 -37.37 77.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.683 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -58.69 -43.23 89.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.533 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 54.9 mt -56.4 -43.76 78.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.456 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.1 -25.99 68.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.424 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.25 -51.75 36.13 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.433 ' ND1' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -54.46 -40.04 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 0.0 110.322 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.419 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 4.1 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.699 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.768 0.318 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.5 t -54.01 -30.86 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.53 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -61.15 -49.34 77.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.544 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.76 -49.78 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.475 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 6' ' ' LEU . 1.3 tt -47.81 -54.75 11.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.352 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -53.67 -50.76 65.11 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.7 -25.71 61.57 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -72.93 -48.31 38.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.871 0.367 . . . . 0.0 110.507 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.43 -38.4 80.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.414 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -61.23 -43.08 99.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.593 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -64.91 -36.72 85.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.571 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.74 -42.62 77.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.547 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.69 -25.62 53.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.65 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.61 -54.31 34.88 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.608 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -57.44 -46.4 83.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.419 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.608 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 6.0 tp . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.842 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.799 0.333 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 63.5 t -54.06 -36.64 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.587 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.22 -49.3 44.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 86.4 mt -63.13 -53.41 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.528 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -47.51 -39.55 16.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.301 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -55.42 -52.77 62.47 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.738 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.7 -25.68 63.86 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.44 -44.15 30.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.859 0.362 . . . . 0.0 110.545 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.46 -28.69 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.49 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -56.54 -39.17 72.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.669 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -63.63 -53.24 54.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.528 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.679 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.0 mp -56.94 -40.86 75.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.385 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.03 -31.13 66.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.52 -58.42 7.83 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -30.14 68.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.775 0.322 . . . . 0.0 110.372 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.8 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.793 -179.871 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.742 0.306 . . . . 0.0 110.486 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.3 t -54.58 -36.25 34.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.493 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.59 -52.93 62.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.625 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.6 mt -54.71 -46.46 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.421 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -55.87 -42.48 75.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.306 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -54.71 -53.2 58.01 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.716 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.37 -25.69 63.11 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -71.63 -33.63 69.1 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.734 0.302 . . . . 0.0 110.514 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.34 -34.02 74.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.451 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -62.57 -34.86 77.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.663 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.22 -35.66 81.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.9 mt -76.37 -45.92 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.443 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.35 -33.08 70.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.442 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.68 -53.33 20.67 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -32.77 72.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.895 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.787 0.327 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.9 t -57.34 -42.75 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.496 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -58.55 -49.85 75.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.6 mt -65.82 -32.57 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.552 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 tt -74.83 -33.8 62.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -56.93 -53.37 58.8 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.713 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.75 -25.63 73.0 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.41 -48.27 61.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.811 0.339 . . . . 0.0 110.702 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.35 87.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.699 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -61.68 -37.56 84.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.783 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -71.76 -43.35 65.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.682 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -69.53 -48.42 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.718 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.05 -25.81 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.649 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.42 -64.22 2.56 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -29.96 67.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.476 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.666 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.786 0.327 . . . . 0.0 110.531 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.6 t -58.9 -35.84 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.592 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -66.55 -48.03 70.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.566 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.57 -40.33 86.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.582 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tt -67.08 -24.96 66.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -54.87 -52.97 61.17 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.714 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.78 -25.99 68.19 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.75 -38.87 45.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.872 0.368 . . . . 0.0 110.497 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.17 -34.2 71.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.533 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -57.36 -39.74 76.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.395 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -69.32 -38.38 78.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.467 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.6 mt -67.45 -38.03 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.491 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.2 -26.2 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.55 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.67 -64.08 2.11 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.498 ' ND1' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -57.57 -32.52 67.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.362 . . . . 0.0 110.34 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tp . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.944 -179.869 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.83 0.348 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -55.0 -45.23 76.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.584 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -67.84 -52.5 36.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.579 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.8 mt -56.43 -35.49 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.613 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -71.63 -34.84 70.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.533 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -53.89 -44.7 70.7 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.606 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.33 -25.55 60.51 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.18 -48.42 17.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.758 0.313 . . . . 0.0 110.578 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.94 -38.79 83.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -59.35 -35.66 74.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.733 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.77 -42.61 66.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.505 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.1 mt -74.78 -54.18 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.681 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.56 -25.48 68.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.713 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.36 -55.14 30.82 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.546 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -70.66 -42.89 70.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.324 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.546 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 5.5 tp . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.803 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.403 HG13 ' H ' ' A' ' 2' ' ' VAL . 3.4 m -52.43 -35.68 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-O 120.813 0.34 . . . . 0.0 110.791 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.9 t -57.15 -45.69 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -54.89 -41.06 70.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.489 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.0 mt -70.03 -51.85 35.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.444 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.495 HD23 ' O ' ' A' ' 6' ' ' LEU . 1.8 tt -58.1 -58.63 7.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -53.95 -43.26 69.73 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.678 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.72 -25.96 59.49 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.72 -46.16 22.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.81 0.338 . . . . 0.0 110.504 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.0 -32.69 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.666 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 tttp -59.3 -42.69 91.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.593 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -72.16 -43.41 64.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.4 mt -69.89 -54.37 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.818 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.76 -27.94 68.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.745 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.44 -52.17 54.26 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.522 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -65.0 -42.11 94.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.936 0.398 . . . . 0.0 110.565 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 17' ' ' LEU . 2.3 tt -62.62 -58.87 5.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.946 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.27 -16.04 30.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 p -58.84 -37.37 76.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.947 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HA ' HD22 ' A' ' 23' ' ' ASN . 0.0 OUTLIER -77.19 -23.39 51.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.86 -179.77 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.487 ' C ' ' H ' ' A' ' 23' ' ' ASN . 64.4 t -69.65 -34.8 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.942 0.401 . . . . 0.0 110.808 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 10.0 mtt -61.11 -1.18 0.42 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.375 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.519 HD22 ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -134.52 -70.18 0.51 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.117 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 120.118 -1.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.419 ' H ' HG22 ' A' ' 2' ' ' VAL . 1.1 m -70.49 -34.1 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.811 0.339 . . . . 0.0 110.49 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.9 t -56.33 -43.04 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.575 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -57.24 -46.96 82.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.548 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 53.4 mt -71.31 -46.48 64.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.639 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 6' ' ' LEU . 1.2 tt -52.24 -51.79 56.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.482 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -53.58 -45.42 69.97 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.54 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.1 -25.59 68.28 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -69.77 -48.5 59.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.851 0.357 . . . . 0.0 110.509 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.65 -37.72 87.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.47 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -62.34 -30.24 71.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.774 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -58.14 -30.67 66.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.747 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.2 mp -78.58 -43.92 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.417 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.69 -25.4 53.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.558 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 19' ' ' SER . . . -69.92 -51.89 21.92 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.546 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.88 -44.92 40.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.865 0.364 . . . . 0.0 110.445 -179.725 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.546 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 6.1 tp -67.62 -54.26 21.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.68 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.93 -14.25 52.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.797 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 15' ' ' GLY . 1.2 p -54.9 -38.63 67.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.937 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HA ' HD22 ' A' ' 23' ' ' ASN . 1.6 pttp -83.54 -21.76 32.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.901 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.449 ' C ' ' H ' ' A' ' 23' ' ' ASN . 84.9 t -65.01 -31.64 54.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.929 0.395 . . . . 0.0 110.619 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.0 mtt -63.22 -1.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.185 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.557 HD22 ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -136.02 -62.82 0.67 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.048 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 120.14 -1.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 N-CA-C 109.449 -1.461 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.6 t -55.37 -41.67 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.749 0.309 . . . . 0.0 110.728 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.6 t -54.81 -34.52 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.54 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -69.12 -53.33 20.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 9' ' ' ALA . 11.6 mm -62.13 -42.94 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.66 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.5 tt -48.48 -58.84 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -53.9 -47.24 71.33 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.797 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.29 -25.66 73.57 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -74.14 -43.59 56.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.756 0.312 . . . . 0.0 110.664 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.78 -47.23 83.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.504 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -59.17 -37.78 78.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.744 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.09 -44.38 97.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.663 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.11 -41.27 88.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.695 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.21 -25.54 68.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.737 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.69 -55.61 23.96 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.615 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -57.17 -46.6 82.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.978 0.418 . . . . 0.0 110.54 -179.799 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.615 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 6.3 tp -62.28 -48.39 80.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.042 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.1 -17.0 63.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.058 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 p -53.46 -40.2 65.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.789 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HA ' HD22 ' A' ' 23' ' ' ASN . 2.9 ptmt -78.34 -25.42 46.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.762 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.9 -26.3 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.713 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.0 mtm -68.41 -1.35 6.29 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.241 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.557 HD22 ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -135.55 -61.11 0.73 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.095 -179.863 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 120.094 -1.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.48 ' H ' HG22 ' A' ' 2' ' ' VAL . 0.3 OUTLIER -65.86 -31.84 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-O 120.813 0.34 . . . . 0.0 110.425 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.4 t -53.9 -37.45 33.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.595 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -70.01 -48.7 57.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.56 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.73 -41.99 94.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.462 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -59.31 -25.82 64.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.28 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -60.59 -51.19 70.46 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.72 -25.52 2.28 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -77.08 -44.98 28.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.799 0.333 . . . . 0.0 110.526 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.96 -43.34 86.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.478 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -59.35 -37.37 77.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.683 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -58.69 -43.23 89.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.533 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 54.9 mt -56.4 -43.76 78.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.456 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.1 -25.99 68.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.424 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.25 -51.75 36.13 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.433 ' ND1' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -54.46 -40.04 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 0.0 110.322 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.419 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 4.1 tp -70.31 -42.86 71.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.699 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.07 -15.3 3.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.57 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 p -67.7 -34.09 76.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -20.89 62.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.727 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.491 ' C ' ' H ' ' A' ' 23' ' ' ASN . 56.3 t -61.81 -30.37 48.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.587 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 43.8 mtm -61.44 -0.74 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.295 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.491 ' H ' ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -143.51 -58.94 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.372 -179.69 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 120.16 -1.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.438 ' H ' HG22 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -70.54 -41.95 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.768 0.318 . . . . 0.0 110.547 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.5 t -54.01 -30.86 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.53 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -61.15 -49.34 77.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.544 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.76 -49.78 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.475 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 6' ' ' LEU . 1.3 tt -47.81 -54.75 11.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.352 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -53.67 -50.76 65.11 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.7 -25.71 61.57 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -72.93 -48.31 38.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.871 0.367 . . . . 0.0 110.507 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.43 -38.4 80.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.414 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -61.23 -43.08 99.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.593 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -64.91 -36.72 85.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.571 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.74 -42.62 77.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.547 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.69 -25.62 53.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.65 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -62.61 -54.31 34.88 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.608 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -57.44 -46.4 83.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.419 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.608 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 6.0 tp -50.28 -13.7 0.13 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.842 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.426 ' N ' ' C ' ' A' ' 16' ' ' HIS . . . -75.71 -15.42 60.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.078 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 p -57.09 -33.81 67.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.077 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.29 -26.55 26.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.86 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' MET . 94.5 t -65.96 -25.11 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.737 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.603 ' O ' ' CG ' ' A' ' 23' ' ' ASN . 38.7 mtp -43.12 -30.06 0.42 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.603 ' CG ' ' O ' ' A' ' 22' ' ' MET . 69.6 m-20 136.27 59.75 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 O-C-N 124.552 1.158 . . . . 0.0 109.886 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 120.229 -1.544 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.436 ' H ' HG22 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -70.46 -45.65 73.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.485 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 63.5 t -54.06 -36.64 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.587 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.22 -49.3 44.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 86.4 mt -63.13 -53.41 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.528 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -47.51 -39.55 16.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.301 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -55.42 -52.77 62.47 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.738 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.7 -25.68 63.86 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.44 -44.15 30.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.859 0.362 . . . . 0.0 110.545 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.46 -28.69 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.49 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -56.54 -39.17 72.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.669 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -63.63 -53.24 54.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.528 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.679 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.0 mp -56.94 -40.86 75.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.385 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.03 -31.13 66.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.52 -58.42 7.83 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -30.14 68.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.775 0.322 . . . . 0.0 110.372 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.404 ' C ' ' H ' ' A' ' 19' ' ' SER . 8.8 tp -73.04 -55.75 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.793 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.98 -9.18 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.661 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.404 ' H ' ' C ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -68.2 -20.66 64.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.012 -179.785 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.24 -22.15 16.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.945 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 22' ' ' MET . 52.5 t -52.28 -17.42 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.816 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.622 ' O ' ' CG ' ' A' ' 23' ' ' ASN . 19.8 mtt -42.85 -32.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.622 ' CG ' ' O ' ' A' ' 22' ' ' MET . 68.7 m-20 137.0 59.81 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 O-C-N 124.53 1.144 . . . . 0.0 109.883 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 120.164 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.42 HG22 ' H ' ' A' ' 2' ' ' VAL . 0.8 OUTLIER -70.53 -35.36 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 0.0 110.486 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.3 t -54.58 -36.25 34.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.493 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.59 -52.93 62.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.625 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.6 mt -54.71 -46.46 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.421 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -55.87 -42.48 75.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.306 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -54.71 -53.2 58.01 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.716 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.37 -25.69 63.11 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -71.63 -33.63 69.1 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.734 0.302 . . . . 0.0 110.514 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.34 -34.02 74.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.451 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -62.57 -34.86 77.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.663 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.22 -35.66 81.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.9 mt -76.37 -45.92 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.443 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.35 -33.08 70.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.442 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.68 -53.33 20.67 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -32.77 72.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tp -66.94 -58.56 4.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.44 -11.06 3.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.727 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.8 -34.1 77.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.57 -19.63 18.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.716 0.293 . . . . 0.0 111.298 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 68.2 t -54.94 -16.67 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.961 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.604 ' O ' ' CG ' ' A' ' 23' ' ' ASN . 17.4 mtt -43.64 -31.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.604 ' CG ' ' O ' ' A' ' 22' ' ' MET . 70.4 m-20 136.52 59.4 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 O-C-N 124.551 1.157 . . . . 0.0 109.977 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 120.224 -1.548 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.285 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.417 ' H ' HG22 ' A' ' 2' ' ' VAL . 2.6 m -70.22 -30.89 45.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 110.456 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.9 t -57.34 -42.75 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.496 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -58.55 -49.85 75.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.6 mt -65.82 -32.57 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.552 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 tt -74.83 -33.8 62.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -56.93 -53.37 58.8 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.713 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.75 -25.63 73.0 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.41 -48.27 61.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.811 0.339 . . . . 0.0 110.702 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.35 87.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.699 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -61.68 -37.56 84.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.783 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -71.76 -43.35 65.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.682 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -69.53 -48.42 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.718 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.05 -25.81 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.649 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.42 -64.22 2.56 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -29.96 67.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.476 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -68.17 -58.88 3.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.666 -179.707 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.38 -9.04 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.823 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -31.27 72.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.121 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.39 -23.53 18.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.91 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -62.15 -21.47 26.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.803 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.622 ' O ' ' CG ' ' A' ' 23' ' ' ASN . 35.0 mtp -43.63 -30.89 0.67 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.622 ' CG ' ' O ' ' A' ' 22' ' ' MET . 70.2 m-20 136.62 59.74 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 O-C-N 124.526 1.141 . . . . 0.0 109.878 179.371 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.202 -1.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.72 -31.17 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.531 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.6 t -58.9 -35.84 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.592 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -66.55 -48.03 70.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.566 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.57 -40.33 86.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.582 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tt -67.08 -24.96 66.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -54.87 -52.97 61.17 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.714 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.78 -25.99 68.19 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.75 -38.87 45.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.872 0.368 . . . . 0.0 110.497 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.17 -34.2 71.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.533 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -57.36 -39.74 76.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.395 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -69.32 -38.38 78.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.467 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.6 mt -67.45 -38.03 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.491 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.2 -26.2 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.55 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.67 -64.08 2.11 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.498 ' ND1' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -57.57 -32.52 67.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.362 . . . . 0.0 110.34 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.96 -49.88 74.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.944 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.41 -14.26 60.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.034 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 p -60.94 -31.41 70.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.152 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.79 -18.99 19.98 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.968 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 22' ' ' MET . 66.6 t -61.1 -21.38 24.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.7 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.622 ' O ' ' CG ' ' A' ' 23' ' ' ASN . 36.8 mtp -42.08 -31.48 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.622 ' CG ' ' O ' ' A' ' 22' ' ' MET . 71.4 m-20 136.55 60.05 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 O-C-N 124.543 1.152 . . . . 0.0 109.878 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.304 -1.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.426 HG22 ' H ' ' A' ' 2' ' ' VAL . 1.2 m -70.49 -32.57 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.83 0.348 . . . . 0.0 110.579 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -55.0 -45.23 76.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.584 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -67.84 -52.5 36.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.579 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.8 mt -56.43 -35.49 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.613 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -71.63 -34.84 70.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.533 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -53.89 -44.7 70.7 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.606 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.33 -25.55 60.51 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.18 -48.42 17.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.758 0.313 . . . . 0.0 110.578 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.94 -38.79 83.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -59.35 -35.66 74.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.733 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.77 -42.61 66.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.505 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.1 mt -74.78 -54.18 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.681 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -64.56 -25.48 68.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.713 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.36 -55.14 30.82 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.546 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -70.66 -42.89 70.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.324 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.546 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 5.5 tp -63.3 -58.62 6.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.803 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 14' ' ' ALA . . . -60.44 -15.85 30.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.925 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 p -54.64 -31.72 57.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.899 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -93.25 -21.93 19.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.818 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 22' ' ' MET . 93.4 t -67.11 -21.61 28.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.804 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.623 ' O ' ' CG ' ' A' ' 23' ' ' ASN . 6.7 mtt -42.01 -31.4 0.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.623 ' CG ' ' O ' ' A' ' 22' ' ' MET . 69.3 m-20 136.57 59.52 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 O-C-N 124.552 1.157 . . . . 0.0 109.885 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 120.287 -1.508 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.813 0.34 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.9 t -57.15 -45.69 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -54.89 -41.06 70.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.489 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.0 mt -70.03 -51.85 35.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.444 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.495 HD23 ' O ' ' A' ' 6' ' ' LEU . 1.8 tt -58.1 -58.63 7.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -53.95 -43.26 69.73 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.678 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.72 -25.96 59.49 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.72 -46.16 22.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.81 0.338 . . . . 0.0 110.504 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.0 -32.69 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.666 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 tttp -59.3 -42.69 91.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.593 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -72.16 -43.41 64.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.4 mt -69.89 -54.37 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.818 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.76 -27.94 68.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.745 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.44 -52.17 54.26 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.522 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -65.0 -42.11 94.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.936 0.398 . . . . 0.0 110.565 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 17' ' ' LEU . 2.3 tt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.946 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.9 t -56.33 -43.04 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.575 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -57.24 -46.96 82.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.548 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 53.4 mt -71.31 -46.48 64.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.639 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 6' ' ' LEU . 1.2 tt -52.24 -51.79 56.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.482 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -53.58 -45.42 69.97 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.54 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.1 -25.59 68.28 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -69.77 -48.5 59.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.851 0.357 . . . . 0.0 110.509 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.65 -37.72 87.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.47 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -62.34 -30.24 71.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.774 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -58.14 -30.67 66.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.747 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.2 mp -78.58 -43.92 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.417 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.69 -25.4 53.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.558 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.92 -51.89 21.92 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.546 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.88 -44.92 40.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.865 0.364 . . . . 0.0 110.445 -179.725 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.546 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 6.1 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.68 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.749 0.309 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.6 t -54.81 -34.52 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.54 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -69.12 -53.33 20.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 9' ' ' ALA . 11.6 mm -62.13 -42.94 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.66 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.5 tt -48.48 -58.84 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -53.9 -47.24 71.33 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.797 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.29 -25.66 73.57 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -74.14 -43.59 56.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.756 0.312 . . . . 0.0 110.664 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.78 -47.23 83.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.504 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -59.17 -37.78 78.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.744 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.09 -44.38 97.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.663 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.11 -41.27 88.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.695 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.21 -25.54 68.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.737 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.69 -55.61 23.96 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.615 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -57.17 -46.6 82.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.978 0.418 . . . . 0.0 110.54 -179.799 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.615 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 6.3 tp . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.042 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.813 0.34 . . . . 0.0 110.425 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.4 t -53.9 -37.45 33.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.595 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -70.01 -48.7 57.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.56 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.73 -41.99 94.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.462 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -59.31 -25.82 64.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.28 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -60.59 -51.19 70.46 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.72 -25.52 2.28 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -77.08 -44.98 28.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.799 0.333 . . . . 0.0 110.526 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.96 -43.34 86.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.478 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -59.35 -37.37 77.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.683 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -58.69 -43.23 89.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.533 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 54.9 mt -56.4 -43.76 78.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.456 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.1 -25.99 68.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.424 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.25 -51.75 36.13 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.433 ' ND1' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -54.46 -40.04 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 0.0 110.322 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.419 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 4.1 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.699 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.768 0.318 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.5 t -54.01 -30.86 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.53 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -61.15 -49.34 77.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.544 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.76 -49.78 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.475 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 6' ' ' LEU . 1.3 tt -47.81 -54.75 11.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.352 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -53.67 -50.76 65.11 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.7 -25.71 61.57 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -72.93 -48.31 38.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.871 0.367 . . . . 0.0 110.507 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.43 -38.4 80.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.414 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -61.23 -43.08 99.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.593 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -64.91 -36.72 85.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.571 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.74 -42.62 77.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.547 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.69 -25.62 53.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.65 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.61 -54.31 34.88 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.608 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -57.44 -46.4 83.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.419 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.608 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 6.0 tp . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.842 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.799 0.333 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 63.5 t -54.06 -36.64 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.587 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.22 -49.3 44.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 86.4 mt -63.13 -53.41 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.528 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -47.51 -39.55 16.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.301 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -55.42 -52.77 62.47 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.738 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.7 -25.68 63.86 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.44 -44.15 30.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.859 0.362 . . . . 0.0 110.545 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.46 -28.69 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.49 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -56.54 -39.17 72.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.669 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -63.63 -53.24 54.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.528 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.679 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.0 mp -56.94 -40.86 75.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.385 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.03 -31.13 66.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.52 -58.42 7.83 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -30.14 68.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.775 0.322 . . . . 0.0 110.372 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.8 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.793 -179.871 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.742 0.306 . . . . 0.0 110.486 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.3 t -54.58 -36.25 34.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.493 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.59 -52.93 62.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.625 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.6 mt -54.71 -46.46 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.421 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -55.87 -42.48 75.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.306 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -54.71 -53.2 58.01 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.716 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.37 -25.69 63.11 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -71.63 -33.63 69.1 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.734 0.302 . . . . 0.0 110.514 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.34 -34.02 74.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.451 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -62.57 -34.86 77.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.663 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.22 -35.66 81.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.9 mt -76.37 -45.92 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.443 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.35 -33.08 70.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.442 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.68 -53.33 20.67 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -60.89 -32.77 72.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.303 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.447 ' N ' ' CD2' ' A' ' 16' ' ' HIS . 4.5 tp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.787 0.327 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.9 t -57.34 -42.75 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.496 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -58.55 -49.85 75.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.6 mt -65.82 -32.57 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.552 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 tt -74.83 -33.8 62.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -56.93 -53.37 58.8 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.713 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.75 -25.63 73.0 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.41 -48.27 61.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.811 0.339 . . . . 0.0 110.702 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.35 87.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.699 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -61.68 -37.56 84.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.783 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -71.76 -43.35 65.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.682 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -69.53 -48.42 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.718 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.05 -25.81 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.649 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.42 -64.22 2.56 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.428 ' CD2' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -58.95 -29.96 67.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.476 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.666 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.786 0.327 . . . . 0.0 110.531 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.6 t -58.9 -35.84 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.592 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -66.55 -48.03 70.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.566 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.57 -40.33 86.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.582 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tt -67.08 -24.96 66.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -54.87 -52.97 61.17 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.714 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.78 -25.99 68.19 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.75 -38.87 45.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.872 0.368 . . . . 0.0 110.497 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.17 -34.2 71.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.533 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -57.36 -39.74 76.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.395 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -69.32 -38.38 78.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.467 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.6 mt -67.45 -38.03 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.491 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.2 -26.2 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.55 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.67 -64.08 2.11 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.498 ' ND1' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -57.57 -32.52 67.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.362 . . . . 0.0 110.34 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tp . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.944 -179.869 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.83 0.348 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -55.0 -45.23 76.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.584 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -67.84 -52.5 36.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.579 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.8 mt -56.43 -35.49 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.613 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -71.63 -34.84 70.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.533 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -53.89 -44.7 70.7 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.606 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.33 -25.55 60.51 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.18 -48.42 17.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.758 0.313 . . . . 0.0 110.578 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.94 -38.79 83.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -59.35 -35.66 74.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.733 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.77 -42.61 66.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.505 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.1 mt -74.78 -54.18 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.681 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.56 -25.48 68.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.713 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.36 -55.14 30.82 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.546 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -70.66 -42.89 70.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.324 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.546 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 5.5 tp . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.803 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.403 HG13 ' H ' ' A' ' 2' ' ' VAL . 3.4 m -52.43 -35.68 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-O 120.813 0.34 . . . . 0.0 110.791 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.9 t -57.15 -45.69 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.507 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -54.89 -41.06 70.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.489 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.0 mt -70.03 -51.85 35.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.444 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.495 HD23 ' O ' ' A' ' 6' ' ' LEU . 1.8 tt -58.1 -58.63 7.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -53.95 -43.26 69.73 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.678 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.72 -25.96 59.49 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.72 -46.16 22.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.81 0.338 . . . . 0.0 110.504 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.0 -32.69 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.666 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 tttp -59.3 -42.69 91.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.593 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -72.16 -43.41 64.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.4 mt -69.89 -54.37 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.818 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.76 -27.94 68.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.745 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.44 -52.17 54.26 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.522 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -65.0 -42.11 94.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.936 0.398 . . . . 0.0 110.565 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 17' ' ' LEU . 2.3 tt -62.62 -58.87 5.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.946 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.27 -16.04 30.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 p -58.84 -37.37 76.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.947 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -23.39 51.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.86 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.487 ' C ' ' H ' ' A' ' 23' ' ' ASN . 64.4 t -69.65 -34.8 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.942 0.401 . . . . 0.0 110.808 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.64 ' C ' HD22 ' A' ' 23' ' ' ASN . 10.0 mtt -61.11 -1.18 0.42 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.375 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.649 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -134.52 -70.18 0.51 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.117 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 120.118 -1.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.419 ' H ' HG22 ' A' ' 2' ' ' VAL . 1.1 m -70.49 -34.1 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.811 0.339 . . . . 0.0 110.49 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.9 t -56.33 -43.04 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.575 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -57.24 -46.96 82.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.548 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 53.4 mt -71.31 -46.48 64.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.639 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 6' ' ' LEU . 1.2 tt -52.24 -51.79 56.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.482 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -53.58 -45.42 69.97 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.54 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.1 -25.59 68.28 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -69.77 -48.5 59.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.851 0.357 . . . . 0.0 110.509 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.65 -37.72 87.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.47 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -62.34 -30.24 71.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.774 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -58.14 -30.67 66.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.747 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.2 mp -78.58 -43.92 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.417 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.69 -25.4 53.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.558 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 19' ' ' SER . . . -69.92 -51.89 21.92 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.546 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -48.88 -44.92 40.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.865 0.364 . . . . 0.0 110.445 -179.725 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.546 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 6.1 tp -67.62 -54.26 21.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.68 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.93 -14.25 52.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.797 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 15' ' ' GLY . 1.2 p -54.9 -38.63 67.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.937 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -83.54 -21.76 32.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.449 ' C ' ' H ' ' A' ' 23' ' ' ASN . 84.9 t -65.01 -31.64 54.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.929 0.395 . . . . 0.0 110.619 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.643 ' C ' HD22 ' A' ' 23' ' ' ASN . 29.0 mtt -63.22 -1.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.185 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.65 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -136.02 -62.82 0.67 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.048 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 120.14 -1.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 N-CA-C 109.449 -1.461 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.6 t -55.37 -41.67 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.749 0.309 . . . . 0.0 110.728 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.6 t -54.81 -34.52 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.54 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -69.12 -53.33 20.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 9' ' ' ALA . 11.6 mm -62.13 -42.94 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.66 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.5 tt -48.48 -58.84 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -53.9 -47.24 71.33 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.797 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.29 -25.66 73.57 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -74.14 -43.59 56.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.756 0.312 . . . . 0.0 110.664 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.78 -47.23 83.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.504 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -59.17 -37.78 78.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.744 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.09 -44.38 97.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.663 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.11 -41.27 88.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.695 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.21 -25.54 68.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.737 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.69 -55.61 23.96 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.615 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -57.17 -46.6 82.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.978 0.418 . . . . 0.0 110.54 -179.799 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.615 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 6.3 tp -62.28 -48.39 80.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.042 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.1 -17.0 63.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.058 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 p -53.46 -40.2 65.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.789 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -78.34 -25.42 46.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.762 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.9 -26.3 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.713 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.626 ' C ' HD22 ' A' ' 23' ' ' ASN . 31.0 mtm -68.41 -1.35 6.29 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.241 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.654 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -135.55 -61.11 0.73 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.095 -179.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 120.094 -1.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.48 ' H ' HG22 ' A' ' 2' ' ' VAL . 0.3 OUTLIER -65.86 -31.84 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-O 120.813 0.34 . . . . 0.0 110.425 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.4 t -53.9 -37.45 33.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.595 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -70.01 -48.7 57.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.56 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.73 -41.99 94.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.462 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -59.31 -25.82 64.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.28 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -60.59 -51.19 70.46 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.72 -25.52 2.28 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -77.08 -44.98 28.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.799 0.333 . . . . 0.0 110.526 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.96 -43.34 86.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.478 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -59.35 -37.37 77.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.683 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -58.69 -43.23 89.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.533 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 54.9 mt -56.4 -43.76 78.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.456 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.1 -25.99 68.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.424 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.25 -51.75 36.13 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.433 ' ND1' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -54.46 -40.04 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 0.0 110.322 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.419 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 4.1 tp -70.31 -42.86 71.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.699 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.07 -15.3 3.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.57 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 p -67.7 -34.09 76.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -20.89 62.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.727 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.491 ' C ' ' H ' ' A' ' 23' ' ' ASN . 56.3 t -61.81 -30.37 48.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.587 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 43.8 mtm -61.44 -0.74 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.295 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.491 ' H ' ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -143.51 -58.94 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.372 -179.69 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 120.16 -1.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.438 ' H ' HG22 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -70.54 -41.95 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.768 0.318 . . . . 0.0 110.547 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.5 t -54.01 -30.86 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.53 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -61.15 -49.34 77.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.544 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.76 -49.78 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.475 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 6' ' ' LEU . 1.3 tt -47.81 -54.75 11.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.352 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -53.67 -50.76 65.11 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.7 -25.71 61.57 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -72.93 -48.31 38.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.871 0.367 . . . . 0.0 110.507 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.43 -38.4 80.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.414 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -61.23 -43.08 99.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.593 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -64.91 -36.72 85.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.571 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.74 -42.62 77.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.547 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.69 -25.62 53.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.65 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -62.61 -54.31 34.88 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.608 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -57.44 -46.4 83.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.419 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.608 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 6.0 tp -50.28 -13.7 0.13 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.842 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.426 ' N ' ' C ' ' A' ' 16' ' ' HIS . . . -75.71 -15.42 60.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.078 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 p -57.09 -33.81 67.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.077 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.29 -26.55 26.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.86 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' MET . 94.5 t -65.96 -25.11 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.737 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.603 ' O ' ' CG ' ' A' ' 23' ' ' ASN . 38.7 mtp -43.12 -30.06 0.42 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.603 ' CG ' ' O ' ' A' ' 22' ' ' MET . 3.8 m120 136.27 59.75 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 O-C-N 124.552 1.158 . . . . 0.0 109.886 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 120.229 -1.544 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.436 ' H ' HG22 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -70.46 -45.65 73.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.485 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 63.5 t -54.06 -36.64 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.587 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.22 -49.3 44.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 86.4 mt -63.13 -53.41 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.528 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -47.51 -39.55 16.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.301 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -55.42 -52.77 62.47 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.738 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.7 -25.68 63.86 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.44 -44.15 30.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.859 0.362 . . . . 0.0 110.545 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.46 -28.69 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.49 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -56.54 -39.17 72.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.669 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -63.63 -53.24 54.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.528 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.679 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.0 mp -56.94 -40.86 75.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.385 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.03 -31.13 66.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.52 -58.42 7.83 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -30.14 68.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.775 0.322 . . . . 0.0 110.372 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.404 ' C ' ' H ' ' A' ' 19' ' ' SER . 8.8 tp -73.04 -55.75 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.793 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.98 -9.18 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.661 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.404 ' H ' ' C ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -68.2 -20.66 64.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.012 -179.785 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.24 -22.15 16.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.945 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 22' ' ' MET . 52.5 t -52.28 -17.42 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.816 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.622 ' O ' ' CG ' ' A' ' 23' ' ' ASN . 19.8 mtt -42.85 -32.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.622 ' CG ' ' O ' ' A' ' 22' ' ' MET . 3.8 m120 137.0 59.81 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 O-C-N 124.53 1.144 . . . . 0.0 109.883 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 120.164 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.42 HG22 ' H ' ' A' ' 2' ' ' VAL . 0.8 OUTLIER -70.53 -35.36 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 0.0 110.486 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.3 t -54.58 -36.25 34.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.493 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.59 -52.93 62.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.625 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.6 mt -54.71 -46.46 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.421 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -55.87 -42.48 75.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.306 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -54.71 -53.2 58.01 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.716 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.37 -25.69 63.11 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -71.63 -33.63 69.1 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.734 0.302 . . . . 0.0 110.514 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.34 -34.02 74.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.451 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -62.57 -34.86 77.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.663 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.22 -35.66 81.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.9 mt -76.37 -45.92 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.443 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.35 -33.08 70.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.442 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.68 -53.33 20.67 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -60.89 -32.77 72.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.303 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.447 ' N ' ' CD2' ' A' ' 16' ' ' HIS . 4.5 tp -66.94 -58.56 4.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.44 -11.06 3.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.727 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.8 -34.1 77.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.57 -19.63 18.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.716 0.293 . . . . 0.0 111.298 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 68.2 t -54.94 -16.67 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.961 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.604 ' O ' ' CG ' ' A' ' 23' ' ' ASN . 17.4 mtt -43.64 -31.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.604 ' CG ' ' O ' ' A' ' 22' ' ' MET . 3.9 m120 136.52 59.4 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 O-C-N 124.551 1.157 . . . . 0.0 109.977 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 120.224 -1.548 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.285 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.417 ' H ' HG22 ' A' ' 2' ' ' VAL . 2.6 m -70.22 -30.89 45.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 110.456 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.9 t -57.34 -42.75 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.496 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -58.55 -49.85 75.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.6 mt -65.82 -32.57 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.552 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 tt -74.83 -33.8 62.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -56.93 -53.37 58.8 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.713 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.75 -25.63 73.0 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.41 -48.27 61.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.811 0.339 . . . . 0.0 110.702 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.35 87.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.699 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -61.68 -37.56 84.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.783 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -71.76 -43.35 65.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.682 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -69.53 -48.42 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.718 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.05 -25.81 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.649 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.42 -64.22 2.56 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.428 ' CD2' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -58.95 -29.96 67.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.476 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -68.17 -58.88 3.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.666 -179.707 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.38 -9.04 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.823 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -31.27 72.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.121 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.39 -23.53 18.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.91 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -62.15 -21.47 26.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.803 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.622 ' O ' ' CG ' ' A' ' 23' ' ' ASN . 35.0 mtp -43.63 -30.89 0.67 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.622 ' CG ' ' O ' ' A' ' 22' ' ' MET . 3.9 m120 136.62 59.74 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 O-C-N 124.526 1.141 . . . . 0.0 109.878 179.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.202 -1.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.72 -31.17 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.531 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.6 t -58.9 -35.84 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.592 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -66.55 -48.03 70.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.566 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.57 -40.33 86.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.582 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tt -67.08 -24.96 66.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -54.87 -52.97 61.17 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.714 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.78 -25.99 68.19 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.75 -38.87 45.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.872 0.368 . . . . 0.0 110.497 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.17 -34.2 71.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.533 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -57.36 -39.74 76.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.395 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -69.32 -38.38 78.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.467 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.6 mt -67.45 -38.03 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.491 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.2 -26.2 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.55 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.67 -64.08 2.11 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.498 ' ND1' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -57.57 -32.52 67.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.362 . . . . 0.0 110.34 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.96 -49.88 74.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.944 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.41 -14.26 60.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.034 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 p -60.94 -31.41 70.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.152 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.79 -18.99 19.98 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.968 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 22' ' ' MET . 66.6 t -61.1 -21.38 24.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.7 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.622 ' O ' ' CG ' ' A' ' 23' ' ' ASN . 36.8 mtp -42.08 -31.48 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.622 ' CG ' ' O ' ' A' ' 22' ' ' MET . 4.0 m120 136.55 60.05 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 O-C-N 124.543 1.152 . . . . 0.0 109.878 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.304 -1.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.426 HG22 ' H ' ' A' ' 2' ' ' VAL . 1.2 m -70.49 -32.57 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.83 0.348 . . . . 0.0 110.579 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -55.0 -45.23 76.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.584 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -67.84 -52.5 36.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.579 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.8 mt -56.43 -35.49 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.613 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -71.63 -34.84 70.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.533 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -53.89 -44.7 70.7 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.606 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.33 -25.55 60.51 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.18 -48.42 17.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.758 0.313 . . . . 0.0 110.578 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.94 -38.79 83.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -59.35 -35.66 74.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.733 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.77 -42.61 66.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.505 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.1 mt -74.78 -54.18 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.681 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -64.56 -25.48 68.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.713 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.36 -55.14 30.82 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.546 ' CG ' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -70.66 -42.89 70.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.324 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.546 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 5.5 tp -63.3 -58.62 6.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.803 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 14' ' ' ALA . . . -60.44 -15.85 30.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.925 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 p -54.64 -31.72 57.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.899 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -93.25 -21.93 19.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.818 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 22' ' ' MET . 93.4 t -67.11 -21.61 28.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.804 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.623 ' O ' ' CG ' ' A' ' 23' ' ' ASN . 6.7 mtt -42.01 -31.4 0.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.623 ' CG ' ' O ' ' A' ' 22' ' ' MET . 3.8 m120 136.57 59.52 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 O-C-N 124.552 1.157 . . . . 0.0 109.885 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 120.287 -1.508 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_