data_5ua6_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 5ua6 _Structure_validation_residue.Date_analyzed 2017-03-24 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.511 ' N ' ' OD2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.7 t -54.51 -26.72 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.599 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.0 t -73.48 -54.03 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.686 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 1' ' ' GLY . 3.5 p30 -61.58 -29.12 69.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.55 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.2 mt -71.3 -43.37 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.469 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.514 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -70.77 -34.21 71.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.569 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -59.28 -9.75 2.47 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.417 ' H ' ' C ' ' A' ' 6' ' ' LEU . . . -63.34 -46.07 93.64 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.33 -31.24 58.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.805 0.336 . . . . 0.0 110.525 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.59 -49.93 44.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.009 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -58.98 -30.26 67.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.631 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -66.86 -47.64 71.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.3 mt -51.57 -25.09 4.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.13 -21.67 13.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.091 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.54 -63.29 0.79 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -51.28 -39.22 56.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.817 0.341 . . . . 0.0 110.117 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.587 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 1.8 mm? -67.33 -40.61 85.95 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.358 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.05 -49.11 48.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.638 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 3.2 t -55.97 -36.17 67.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.66 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -55.84 -45.7 78.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 p -85.24 -15.05 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.753 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.1 mtm -108.38 7.61 27.17 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.48 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . 0.505 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.004 -1.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.524 ' N ' ' OD1' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.7 p -47.54 -26.54 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.869 0.366 . . . . 0.0 110.647 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -70.66 -53.79 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.811 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 1' ' ' GLY . 2.7 p30 -59.61 -33.77 71.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.696 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.25 -45.89 88.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.508 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -67.67 -33.68 75.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.65 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -61.19 -8.5 3.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.41 ' H ' ' C ' ' A' ' 6' ' ' LEU . . . -60.82 -49.82 74.39 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.27 -31.33 58.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.838 0.351 . . . . 0.0 110.418 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.86 -49.83 74.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.339 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.437 ' NZ ' ' CB ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -75.75 -31.82 59.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.112 -179.395 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -72.63 -47.98 43.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.926 0.393 . . . . 0.0 110.31 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 54.7 mt -54.18 -24.64 11.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.55 -21.85 14.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.077 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -102.03 -63.16 0.74 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -51.23 -39.67 57.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.854 0.359 . . . . 0.0 110.149 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.579 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 1.6 mm? -67.5 -41.07 85.09 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.326 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.29 -44.91 76.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.701 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.452 ' H ' ' HG ' ' A' ' 19' ' ' SER . 4.6 p -72.09 -27.65 62.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.82 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -49.52 -38.67 31.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.392 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 p -89.36 -28.14 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.8 mtm -101.72 26.27 7.6 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.375 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . 0.408 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.107 -1.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.419 ' O ' ' OD2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.321 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.5 p -47.6 -26.48 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 110.572 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -66.43 -53.58 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.797 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' A' ' 1' ' ' GLY . 2.1 p30 -55.42 -28.06 51.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.788 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 mm -67.23 -41.37 86.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.527 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -73.15 -34.34 66.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.799 -179.748 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.403 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 9.2 mptt -53.58 -14.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 6' ' ' LEU . . . -58.28 -49.56 74.9 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.06 -31.31 58.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.833 0.349 . . . . 0.0 110.627 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.69 -44.21 47.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.032 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -54.18 -30.62 50.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.334 . . . . 0.0 110.602 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -73.73 -47.64 37.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.184 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.5 mt -53.24 -25.11 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.8 -21.89 13.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.096 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.79 -62.59 0.79 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.445 ' O ' ' OG ' ' A' ' 19' ' ' SER . 21.0 t60 -51.32 -38.5 53.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.904 0.383 . . . . 0.0 110.096 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.587 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 1.6 mm? -69.63 -40.87 76.28 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.3 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.37 -30.63 29.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.738 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -77.28 -36.94 53.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.581 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -50.25 -35.21 25.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.693 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 p -87.95 -28.62 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.4 mtt -94.26 24.47 4.4 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.372 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 120.091 -1.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.7 t -47.47 -26.55 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.854 0.359 . . . . 0.0 110.533 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.4 t -68.22 -53.89 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.776 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -59.72 -32.2 70.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.758 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.3 -41.11 88.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.513 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.51 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -71.24 -33.79 70.17 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.536 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -61.35 -8.27 3.76 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 6' ' ' LEU . . . -65.22 -45.77 90.03 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.634 -0.987 . . . . 0.0 110.634 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.94 -30.91 58.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.842 0.353 . . . . 0.0 110.402 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.43 -49.57 44.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.87 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -30.45 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.605 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -70.73 -47.44 59.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.307 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.0 mt -52.24 -24.71 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.31 -21.99 14.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.125 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.67 -62.4 0.79 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -51.47 -38.77 55.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.872 0.368 . . . . 0.0 110.029 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.595 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 1.7 mm? -69.22 -41.44 77.05 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.274 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.28 -28.59 66.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.628 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 5.7 t -77.75 -34.29 52.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.506 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -53.76 -42.05 67.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.796 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -75.21 -18.85 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.463 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -151.17 66.67 0.91 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.65 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . 0.507 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 120.026 -1.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.515 ' N ' ' OD2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.1 -26.34 39.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.801 0.334 . . . . 0.0 110.563 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.5 t -68.2 -53.68 27.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 5' ' ' ILE . 2.8 p30 -52.89 -34.28 54.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.88 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.527 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 92.2 mt -57.66 -38.17 63.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.451 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.486 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -70.59 -34.52 72.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.487 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 8.8 mptt -59.16 -10.84 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.402 ' H ' ' C ' ' A' ' 6' ' ' LEU . . . -60.04 -49.47 78.24 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.67 -31.66 59.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.745 0.307 . . . . 0.0 110.355 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.99 -34.67 57.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.506 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 15' ' ' GLY . 31.6 mttt -58.72 -41.25 85.92 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.584 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -73.52 -47.92 37.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.4 HG21 HD12 ' A' ' 13' ' ' ILE . 96.4 mt -54.82 -25.17 15.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.3 -21.88 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.939 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -100.45 -63.0 0.8 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -51.38 -39.02 56.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.888 0.375 . . . . 0.0 110.032 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.578 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 1.4 mm? -69.32 -41.59 76.49 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.313 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.33 -25.13 22.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.661 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 3.6 t -80.57 -43.77 20.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.808 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -53.69 -42.47 68.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.743 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 p -68.05 -17.33 22.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.438 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.88 59.83 0.79 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.634 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . 0.509 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.304 -1.393 0 O-C-N 120.119 -1.613 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.431 ' O ' ' OD2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.8 t -50.91 -26.71 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.767 0.318 . . . . 0.0 110.507 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.5 t -58.25 -53.67 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.733 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.431 ' OD2' ' O ' ' A' ' 1' ' ' GLY . 2.7 p30 -66.74 -30.42 70.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.629 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 mm -67.37 -33.62 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.346 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.531 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -79.45 -37.3 37.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.427 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -12.0 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' A' ' 6' ' ' LEU . . . -59.31 -49.02 82.98 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.5 -31.27 57.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.787 0.327 . . . . 0.0 110.506 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.78 -50.0 46.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -70.66 -30.45 67.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.807 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -71.11 -47.53 57.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.992 0.425 . . . . 0.0 110.395 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 80.1 mt -51.62 -24.86 4.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.19 -21.73 13.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.222 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.49 -63.23 0.8 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -51.38 -39.4 57.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.902 0.382 . . . . 0.0 110.14 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.581 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 1.6 mm? -67.73 -41.44 83.43 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.197 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.79 -31.21 72.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.59 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.53 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 3.8 t -46.33 -27.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.617 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -58.52 -50.62 73.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.578 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.405 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 3.3 p -79.59 -7.26 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.356 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.85 69.43 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . 0.53 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 120.093 -1.629 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.429 ' O ' ' OD1' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.492 2.398 0 N-CA-C 109.464 -1.455 . . . . 0.0 109.464 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.2 t -47.73 -26.45 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.914 0.388 . . . . 0.0 110.576 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.0 t -63.82 -53.75 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.731 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 5' ' ' ILE . 2.5 p30 -54.74 -35.34 63.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.521 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.529 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 13.3 mt -59.13 -28.48 39.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.232 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.531 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -76.42 -39.2 54.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.051 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 25.4 mmtm -55.6 -10.63 0.71 Allowed 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 6' ' ' LEU . . . -73.6 -35.81 54.9 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.02 -31.86 63.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.229 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.46 -38.8 75.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.451 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.45 ' C ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -77.82 -31.59 51.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.187 179.782 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -73.64 -47.71 37.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.505 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.1 mt -52.7 -25.08 7.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.423 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.82 -21.9 13.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.132 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.91 -62.39 0.79 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -51.4 -39.08 56.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.909 0.385 . . . . 0.0 110.064 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.59 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 1.6 mm? -68.73 -41.39 79.05 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.282 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.17 -27.61 62.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.565 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 3.9 t -74.96 -32.68 61.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.58 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -55.6 -46.24 77.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.626 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -71.76 -15.44 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.609 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.83 66.77 0.67 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.662 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . 0.526 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 120.044 -1.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' O ' ' OD1' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 95.9 t -64.21 -26.68 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.646 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.7 t -56.25 -53.44 39.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.775 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.534 ' OD2' ' N ' ' A' ' 5' ' ' ILE . 2.6 p30 -61.53 -36.33 80.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.534 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 82.5 mt -57.74 -29.18 34.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.533 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -76.85 -37.87 54.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.449 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.433 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 65.0 mmtt -59.85 -7.01 1.44 Allowed 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 121.128 0.49 . . . . 0.0 109.957 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.462 ' H ' ' C ' ' A' ' 6' ' ' LEU . . . -67.34 -46.28 72.18 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.27 -31.59 58.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.743 0.306 . . . . 0.0 110.703 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.93 -50.4 46.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.043 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 15' ' ' GLY . 16.5 ptmt -77.77 -30.68 51.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.769 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -64.46 -47.43 79.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 0.0 110.464 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.9 mt -52.0 -25.71 6.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.02 -23.09 15.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.565 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -81.32 -61.69 2.06 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 109.719 -1.352 . . . . 0.0 109.719 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -51.6 -31.83 26.43 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.55 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -51.18 -34.53 32.02 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.544 179.533 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.92 -19.91 33.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.593 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 t -86.57 -41.52 14.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.784 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -51.32 -38.77 54.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.723 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.8 p -71.94 -27.04 26.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.357 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.7 mtt -93.72 -1.66 54.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.437 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 120.081 -1.637 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.521 ' N ' ' OD1' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -72.6 -26.42 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.618 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.5 t -66.33 -53.8 32.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 1' ' ' GLY . 2.2 p30 -53.07 -37.19 61.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.785 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.497 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 82.0 mt -61.9 -30.94 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.489 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.52 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -76.64 -37.95 55.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.227 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -58.0 -8.6 1.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.493 ' H ' ' C ' ' A' ' 6' ' ' LEU . . . -69.69 -41.25 75.29 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.465 ' O ' ' OD1' ' A' ' 12' ' ' ASP . . . -73.78 -31.21 63.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.166 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.51 -34.41 17.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.315 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -74.37 -43.24 57.34 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.705 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.466 ' CG ' ' N ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -58.17 -46.48 85.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.803 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.466 ' N ' ' CG ' ' A' ' 12' ' ' ASP . 70.9 mt -49.63 -23.9 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 12' ' ' ASP . . . -103.66 -22.88 13.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.817 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.69 -61.49 0.72 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' ASP . 22.1 t60 -51.2 -39.7 57.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.892 0.377 . . . . 0.0 110.13 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.544 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 1.5 mm? -66.25 -40.44 90.2 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.25 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.9 -21.14 10.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.461 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 3.6 t -78.59 -31.86 47.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.614 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -54.72 -45.03 74.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.563 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.5 p -70.33 -21.52 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.317 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.496 ' O ' ' SD ' ' A' ' 22' ' ' MET . 0.3 OUTLIER -148.53 67.43 1.07 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.6 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . 0.528 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.014 -1.679 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.532 ' N ' ' OD2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.561 -1.415 . . . . 0.0 109.561 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.9 p -47.56 -26.46 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.604 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 t -61.07 -53.59 46.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.8 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 1' ' ' GLY . 2.1 p30 -58.71 -34.89 71.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.837 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.447 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 5.0 mm -58.84 -37.92 69.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.539 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -73.83 -35.28 64.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.805 -179.729 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 7.9 mptt -53.39 -13.84 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 6' ' ' LEU . . . -55.4 -52.92 44.47 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.671 -0.971 . . . . 0.0 110.671 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.67 -31.82 59.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.62 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.24 -39.99 70.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.641 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' A' ' 15' ' ' GLY . 43.6 mttt -64.68 -38.0 89.49 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.633 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -73.82 -48.22 32.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 0.0 110.364 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 73.6 mt -62.74 -24.5 35.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.581 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.1 -19.96 14.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.704 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -98.93 -64.63 0.84 Allowed Glycine 0 CA--C 1.523 0.566 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.79 -178.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -51.5 -39.24 57.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.836 0.35 . . . . 0.0 110.147 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.512 ' N ' ' CD1' ' A' ' 17' ' ' LEU . 8.2 mp -75.33 -43.03 52.98 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.931 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.94 -31.86 42.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.371 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.6 t -58.02 -34.08 69.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.475 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -55.88 -46.37 78.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.706 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -88.71 -15.9 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.662 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 10.3 mtt -107.58 22.31 16.16 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.436 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.99 -1.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.489 ' N ' ' OD2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.7 t -54.51 -26.72 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.599 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.0 t -73.48 -54.03 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.686 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.489 ' OD2' ' N ' ' A' ' 1' ' ' GLY . 3.5 p30 -61.58 -29.12 69.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.55 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.2 mt -71.3 -43.37 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.469 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.717 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -70.77 -34.21 71.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.569 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 8.2 mptt -59.28 -9.75 2.47 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.34 -46.07 93.64 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.33 -31.24 58.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.805 0.336 . . . . 0.0 110.525 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.59 -49.93 44.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.009 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -58.98 -30.26 67.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.631 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -66.86 -47.64 71.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.3 mt -51.57 -25.09 4.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.13 -21.67 13.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.091 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.54 -63.29 0.79 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -51.28 -39.22 56.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.817 0.341 . . . . 0.0 110.117 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.587 ' CD2' ' N ' ' A' ' 17' ' ' LEU . 1.8 mm? -67.33 -40.61 85.95 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.358 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.05 -49.11 48.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.638 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 3.2 t -55.97 -36.17 67.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.66 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -55.84 -45.7 78.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 21' ' ' VAL . 5.2 p -85.24 -15.05 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.753 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.1 mtm -108.38 7.61 27.17 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.48 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . 0.505 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.004 -1.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.484 ' N ' ' OD1' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.7 p -47.54 -26.54 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.869 0.366 . . . . 0.0 110.647 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -70.66 -53.79 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.811 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 1' ' ' GLY . 2.7 p30 -59.61 -33.77 71.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.696 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.25 -45.89 88.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.508 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.715 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -67.67 -33.68 75.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.65 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.4 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 8.6 mptt -61.19 -8.5 3.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.82 -49.82 74.39 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.27 -31.33 58.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.838 0.351 . . . . 0.0 110.418 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.86 -49.83 74.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.339 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.437 ' CB ' ' NZ ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -75.75 -31.82 59.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.112 -179.395 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -72.63 -47.98 43.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.926 0.393 . . . . 0.0 110.31 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 54.7 mt -54.18 -24.64 11.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.55 -21.85 14.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.077 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -102.03 -63.16 0.74 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -51.23 -39.67 57.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.854 0.359 . . . . 0.0 110.149 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.579 ' CD2' ' N ' ' A' ' 17' ' ' LEU . 1.6 mm? -67.5 -41.07 85.09 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.326 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.413 ' O ' HG12 ' A' ' 21' ' ' VAL . . . -55.29 -44.91 76.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.701 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 4.6 p -72.09 -27.65 62.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.82 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -49.52 -38.67 31.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.392 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 18' ' ' ALA . 4.2 p -89.36 -28.14 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.8 mtm -101.72 26.27 7.6 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.375 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . 0.408 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.107 -1.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.419 ' O ' ' OD2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.321 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.5 p -47.6 -26.48 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 110.572 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -66.43 -53.58 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.797 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' A' ' 1' ' ' GLY . 2.1 p30 -55.42 -28.06 51.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.788 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 mm -67.23 -41.37 86.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.527 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.688 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -73.15 -34.34 66.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.799 -179.748 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 9.2 mptt -53.58 -14.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 6' ' ' LEU . . . -58.28 -49.56 74.9 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.06 -31.31 58.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.833 0.349 . . . . 0.0 110.627 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.69 -44.21 47.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.032 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -54.18 -30.62 50.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.334 . . . . 0.0 110.602 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -73.73 -47.64 37.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.184 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.408 HD13 HG21 ' A' ' 13' ' ' ILE . 22.5 mt -53.24 -25.11 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.8 -21.89 13.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.096 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.79 -62.59 0.79 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -51.32 -38.5 53.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.904 0.383 . . . . 0.0 110.096 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.587 ' CD2' ' N ' ' A' ' 17' ' ' LEU . 1.6 mm? -69.63 -40.87 76.28 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.3 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.37 -30.63 29.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.738 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.28 -36.94 53.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.581 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -50.25 -35.21 25.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.693 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 p -87.95 -28.62 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.4 mtt -94.26 24.47 4.4 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.372 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 120.091 -1.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.7 t -47.47 -26.55 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.854 0.359 . . . . 0.0 110.533 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.4 t -68.22 -53.89 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.776 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -59.72 -32.2 70.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.758 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.3 -41.11 88.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.513 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.724 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -71.24 -33.79 70.17 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.536 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.4 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 9.2 mptt -61.35 -8.27 3.76 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.22 -45.77 90.03 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.634 -0.987 . . . . 0.0 110.634 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.94 -30.91 58.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.842 0.353 . . . . 0.0 110.402 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.43 -49.57 44.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.87 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -30.45 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.605 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -70.73 -47.44 59.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.307 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.0 mt -52.24 -24.71 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.31 -21.99 14.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.125 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.67 -62.4 0.79 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -51.47 -38.77 55.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.872 0.368 . . . . 0.0 110.029 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.595 ' CD2' ' N ' ' A' ' 17' ' ' LEU . 1.7 mm? -69.22 -41.44 77.05 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.274 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.28 -28.59 66.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.628 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 5.7 t -77.75 -34.29 52.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.506 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -53.76 -42.05 67.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.796 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -75.21 -18.85 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.463 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -151.17 66.67 0.91 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.65 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . 0.507 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 120.026 -1.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.46 ' N ' ' OD2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.539 ' HA ' HD12 ' A' ' 5' ' ' ILE . 62.1 t -65.1 -26.34 39.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.801 0.334 . . . . 0.0 110.563 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.5 t -68.2 -53.68 27.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 5' ' ' ILE . 2.8 p30 -52.89 -34.28 54.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.88 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.539 HD12 ' HA ' ' A' ' 2' ' ' VAL . 92.2 mt -57.66 -38.17 63.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.451 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.688 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -70.59 -34.52 72.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.487 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.439 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 8.8 mptt -59.16 -10.84 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.04 -49.47 78.24 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.67 -31.66 59.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.745 0.307 . . . . 0.0 110.355 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.99 -34.67 57.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.506 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 15' ' ' GLY . 31.6 mttt -58.72 -41.25 85.92 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.584 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -73.52 -47.92 37.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.4 mt -54.82 -25.17 15.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.3 -21.88 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.939 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -100.45 -63.0 0.8 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -51.38 -39.02 56.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.888 0.375 . . . . 0.0 110.032 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.578 ' CD2' ' N ' ' A' ' 17' ' ' LEU . 1.4 mm? -69.32 -41.59 76.49 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.313 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.33 -25.13 22.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.661 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 3.6 t -80.57 -43.77 20.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.808 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -53.69 -42.47 68.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.743 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 p -68.05 -17.33 22.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.438 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.88 59.83 0.79 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.634 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . 0.509 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.304 -1.393 0 O-C-N 120.119 -1.613 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.431 ' O ' ' OD2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.8 t -50.91 -26.71 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.767 0.318 . . . . 0.0 110.507 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.5 t -58.25 -53.67 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.733 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.431 ' OD2' ' O ' ' A' ' 1' ' ' GLY . 2.7 p30 -66.74 -30.42 70.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.629 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 mm -67.37 -33.62 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.346 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.834 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -79.45 -37.3 37.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.427 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -51.32 -12.0 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.631 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.466 ' N ' ' C ' ' A' ' 6' ' ' LEU . . . -59.31 -49.02 82.98 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.5 -31.27 57.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.787 0.327 . . . . 0.0 110.506 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.78 -50.0 46.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -70.66 -30.45 67.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.807 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -71.11 -47.53 57.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.992 0.425 . . . . 0.0 110.395 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 80.1 mt -51.62 -24.86 4.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.19 -21.73 13.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.222 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.49 -63.23 0.8 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -51.38 -39.4 57.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.902 0.382 . . . . 0.0 110.14 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.581 ' CD2' ' N ' ' A' ' 17' ' ' LEU . 1.6 mm? -67.73 -41.44 83.43 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.197 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.481 ' O ' HG12 ' A' ' 21' ' ' VAL . . . -63.79 -31.21 72.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.59 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.53 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 3.8 t -46.33 -27.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.617 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -58.52 -50.62 73.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.578 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 21' ' ' VAL . 3.3 p -79.59 -7.26 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.356 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.85 69.43 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . 0.53 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 120.093 -1.629 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.429 ' O ' ' OD1' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.492 2.398 0 N-CA-C 109.464 -1.455 . . . . 0.0 109.464 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.425 ' H ' HG23 ' A' ' 2' ' ' VAL . 12.2 t -47.73 -26.45 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.914 0.388 . . . . 0.0 110.576 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.0 t -63.82 -53.75 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.731 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 5' ' ' ILE . 2.5 p30 -54.74 -35.34 63.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.521 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.529 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 13.3 mt -59.13 -28.48 39.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.232 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.807 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -76.42 -39.2 54.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.051 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 25.4 mmtm -55.6 -10.63 0.71 Allowed 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 6' ' ' LEU . . . -73.6 -35.81 54.9 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.02 -31.86 63.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.229 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.46 -38.8 75.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.451 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.45 ' C ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -77.82 -31.59 51.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.187 179.782 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -73.64 -47.71 37.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.505 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.1 mt -52.7 -25.08 7.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.423 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.82 -21.9 13.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.132 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.91 -62.39 0.79 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -51.4 -39.08 56.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.909 0.385 . . . . 0.0 110.064 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.59 ' CD2' ' N ' ' A' ' 17' ' ' LEU . 1.6 mm? -68.73 -41.39 79.05 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.282 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.17 -27.61 62.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.565 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 3.9 t -74.96 -32.68 61.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.58 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -55.6 -46.24 77.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.626 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 21' ' ' VAL . 4.3 p -71.76 -15.44 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.609 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.83 66.77 0.67 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.662 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . 0.526 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 120.044 -1.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' O ' ' OD1' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.593 ' HA ' HD12 ' A' ' 5' ' ' ILE . 95.9 t -64.21 -26.68 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.646 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.7 t -56.25 -53.44 39.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.775 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.534 ' OD2' ' N ' ' A' ' 5' ' ' ILE . 2.6 p30 -61.53 -36.33 80.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' A' ' 2' ' ' VAL . 82.5 mt -57.74 -29.18 34.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.739 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -76.85 -37.87 54.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.449 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.456 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 65.0 mmtt -59.85 -7.01 1.44 Allowed 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 121.128 0.49 . . . . 0.0 109.957 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 6' ' ' LEU . . . -67.34 -46.28 72.18 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.27 -31.59 58.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.743 0.306 . . . . 0.0 110.703 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.93 -50.4 46.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.043 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 15' ' ' GLY . 16.5 ptmt -77.77 -30.68 51.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.769 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -64.46 -47.43 79.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 0.0 110.464 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.9 mt -52.0 -25.71 6.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.02 -23.09 15.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.565 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -81.32 -61.69 2.06 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 109.719 -1.352 . . . . 0.0 109.719 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -51.6 -31.83 26.43 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.954 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -51.18 -34.53 32.02 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.544 179.533 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.92 -19.91 33.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.593 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 t -86.57 -41.52 14.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.784 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -51.32 -38.77 54.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.723 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.431 ' H ' HG12 ' A' ' 21' ' ' VAL . 2.8 p -71.94 -27.04 26.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.357 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.7 mtt -93.72 -1.66 54.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.437 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 120.081 -1.637 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.436 ' O ' ' OD1' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -72.6 -26.42 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.618 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.5 t -66.33 -53.8 32.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.497 ' OD2' ' N ' ' A' ' 5' ' ' ILE . 2.2 p30 -53.07 -37.19 61.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.785 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.497 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 82.0 mt -61.9 -30.94 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.489 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.807 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -76.64 -37.95 55.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.227 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.406 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 9.6 mptt -58.0 -8.6 1.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 6' ' ' LEU . . . -69.69 -41.25 75.29 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.465 ' O ' ' OD1' ' A' ' 12' ' ' ASP . . . -73.78 -31.21 63.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.166 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.51 -34.41 17.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.315 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -74.37 -43.24 57.34 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.705 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.466 ' CG ' ' N ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -58.17 -46.48 85.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.803 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.466 ' N ' ' CG ' ' A' ' 12' ' ' ASP . 70.9 mt -49.63 -23.9 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 12' ' ' ASP . . . -103.66 -22.88 13.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.817 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.69 -61.49 0.72 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' ASP . 22.1 t60 -51.2 -39.7 57.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.892 0.377 . . . . 0.0 110.13 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 17' ' ' LEU . 1.5 mm? -66.25 -40.44 90.2 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.25 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.9 -21.14 10.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.461 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 3.6 t -78.59 -31.86 47.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.614 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -54.72 -45.03 74.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.563 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.5 p -70.33 -21.52 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.317 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.496 ' SD ' ' O ' ' A' ' 22' ' ' MET . 0.3 OUTLIER -148.53 67.43 1.07 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.6 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . 0.528 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.014 -1.679 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.422 ' N ' ' OD2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.561 -1.415 . . . . 0.0 109.561 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.9 p -47.56 -26.46 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.604 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 t -61.07 -53.59 46.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.8 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 5' ' ' ILE . 2.1 p30 -58.71 -34.89 71.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.837 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.447 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 5.0 mm -58.84 -37.92 69.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.539 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.685 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -73.83 -35.28 64.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.805 -179.729 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.446 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 7.9 mptt -53.39 -13.84 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 6' ' ' LEU . . . -55.4 -52.92 44.47 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.671 -0.971 . . . . 0.0 110.671 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.67 -31.82 59.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.62 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.24 -39.99 70.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.641 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' A' ' 15' ' ' GLY . 43.6 mttt -64.68 -38.0 89.49 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.633 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -73.82 -48.22 32.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 0.0 110.364 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.489 ' HA ' HD13 ' A' ' 17' ' ' LEU . 73.6 mt -62.74 -24.5 35.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.581 179.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.622 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -103.1 -19.96 14.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.704 -179.017 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -98.93 -64.63 0.84 Allowed Glycine 0 CA--C 1.523 0.566 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.79 -178.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -51.5 -39.24 57.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.836 0.35 . . . . 0.0 110.147 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.7 ' N ' HD12 ' A' ' 17' ' ' LEU . 8.2 mp -75.33 -43.03 52.98 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.931 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.622 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -52.94 -31.86 42.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.371 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.6 t -58.02 -34.08 69.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.475 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -55.88 -46.37 78.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.706 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.414 ' O ' HG22 ' A' ' 21' ' ' VAL . 7.7 p -88.71 -15.9 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.662 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 10.3 mtt -107.58 22.31 16.16 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.436 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.99 -1.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.489 ' N ' ' OD2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.7 t -54.51 -26.72 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.599 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.0 t -73.48 -54.03 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.686 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.489 ' OD2' ' N ' ' A' ' 1' ' ' GLY . 3.5 p30 -61.58 -29.12 69.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.55 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.2 mt -71.3 -43.37 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.469 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.717 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -70.77 -34.21 71.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.569 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 8.2 mptt -59.28 -9.75 2.47 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.34 -46.07 93.64 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.33 -31.24 58.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.805 0.336 . . . . 0.0 110.525 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.59 -49.93 44.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.009 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -58.98 -30.26 67.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.631 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -66.86 -47.64 71.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.3 mt -51.57 -25.09 4.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.13 -21.67 13.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.091 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.54 -63.29 0.79 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -51.28 -39.22 56.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.817 0.341 . . . . 0.0 110.117 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.587 ' CD2' ' N ' ' A' ' 17' ' ' LEU . 1.8 mm? -67.33 -40.61 85.95 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.358 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.05 -49.11 48.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.638 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 3.2 t -55.97 -36.17 67.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.66 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -55.84 -45.7 78.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 21' ' ' VAL . 5.2 p -85.24 -15.05 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.753 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.1 mtm -108.38 7.61 27.17 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.48 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . 0.505 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.004 -1.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.484 ' N ' ' OD1' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.7 p -47.54 -26.54 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.869 0.366 . . . . 0.0 110.647 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -70.66 -53.79 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.811 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 1' ' ' GLY . 2.7 p30 -59.61 -33.77 71.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.696 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.25 -45.89 88.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.508 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.715 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -67.67 -33.68 75.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.65 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.4 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 8.6 mptt -61.19 -8.5 3.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.82 -49.82 74.39 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.27 -31.33 58.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.838 0.351 . . . . 0.0 110.418 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.86 -49.83 74.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.339 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.437 ' CB ' ' NZ ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -75.75 -31.82 59.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.112 -179.395 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -72.63 -47.98 43.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.926 0.393 . . . . 0.0 110.31 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 54.7 mt -54.18 -24.64 11.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.55 -21.85 14.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.077 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -102.03 -63.16 0.74 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -51.23 -39.67 57.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.854 0.359 . . . . 0.0 110.149 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.579 ' CD2' ' N ' ' A' ' 17' ' ' LEU . 1.6 mm? -67.5 -41.07 85.09 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.326 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.413 ' O ' HG12 ' A' ' 21' ' ' VAL . . . -55.29 -44.91 76.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.701 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 4.6 p -72.09 -27.65 62.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.82 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -49.52 -38.67 31.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.392 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 18' ' ' ALA . 4.2 p -89.36 -28.14 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.8 mtm -101.72 26.27 7.6 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.375 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . 0.408 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.107 -1.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.419 ' O ' ' OD2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.321 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.5 p -47.6 -26.48 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 110.572 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -66.43 -53.58 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.797 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' A' ' 1' ' ' GLY . 2.1 p30 -55.42 -28.06 51.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.788 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 mm -67.23 -41.37 86.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.527 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.688 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -73.15 -34.34 66.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.799 -179.748 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 9.2 mptt -53.58 -14.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 6' ' ' LEU . . . -58.28 -49.56 74.9 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.06 -31.31 58.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.833 0.349 . . . . 0.0 110.627 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.69 -44.21 47.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.032 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -54.18 -30.62 50.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.334 . . . . 0.0 110.602 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -73.73 -47.64 37.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.184 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.408 HD13 HG21 ' A' ' 13' ' ' ILE . 22.5 mt -53.24 -25.11 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.8 -21.89 13.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.096 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.79 -62.59 0.79 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -51.32 -38.5 53.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.904 0.383 . . . . 0.0 110.096 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.587 ' CD2' ' N ' ' A' ' 17' ' ' LEU . 1.6 mm? -69.63 -40.87 76.28 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.3 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.37 -30.63 29.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.738 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.28 -36.94 53.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.581 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -50.25 -35.21 25.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.693 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 p -87.95 -28.62 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.4 mtt -94.26 24.47 4.4 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.372 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 120.091 -1.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.7 t -47.47 -26.55 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.854 0.359 . . . . 0.0 110.533 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.4 t -68.22 -53.89 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.776 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -59.72 -32.2 70.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.758 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.3 -41.11 88.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.513 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.724 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -71.24 -33.79 70.17 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.536 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.4 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 9.2 mptt -61.35 -8.27 3.76 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.22 -45.77 90.03 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.634 -0.987 . . . . 0.0 110.634 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.94 -30.91 58.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.842 0.353 . . . . 0.0 110.402 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.43 -49.57 44.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.87 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -30.45 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.605 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -70.73 -47.44 59.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.307 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.0 mt -52.24 -24.71 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.31 -21.99 14.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.125 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.67 -62.4 0.79 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -51.47 -38.77 55.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.872 0.368 . . . . 0.0 110.029 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.595 ' CD2' ' N ' ' A' ' 17' ' ' LEU . 1.7 mm? -69.22 -41.44 77.05 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.274 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.28 -28.59 66.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.628 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 5.7 t -77.75 -34.29 52.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.506 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -53.76 -42.05 67.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.796 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -75.21 -18.85 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.463 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -151.17 66.67 0.91 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.65 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . 0.507 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 120.026 -1.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.46 ' N ' ' OD2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.539 ' HA ' HD12 ' A' ' 5' ' ' ILE . 62.1 t -65.1 -26.34 39.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.801 0.334 . . . . 0.0 110.563 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.5 t -68.2 -53.68 27.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 5' ' ' ILE . 2.8 p30 -52.89 -34.28 54.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.88 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.539 HD12 ' HA ' ' A' ' 2' ' ' VAL . 92.2 mt -57.66 -38.17 63.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.451 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.688 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -70.59 -34.52 72.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.487 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.439 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 8.8 mptt -59.16 -10.84 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.04 -49.47 78.24 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.67 -31.66 59.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.745 0.307 . . . . 0.0 110.355 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.99 -34.67 57.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.506 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 15' ' ' GLY . 31.6 mttt -58.72 -41.25 85.92 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.584 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -73.52 -47.92 37.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.4 mt -54.82 -25.17 15.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.3 -21.88 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.939 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -100.45 -63.0 0.8 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -51.38 -39.02 56.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.888 0.375 . . . . 0.0 110.032 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.578 ' CD2' ' N ' ' A' ' 17' ' ' LEU . 1.4 mm? -69.32 -41.59 76.49 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.313 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.33 -25.13 22.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.661 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 3.6 t -80.57 -43.77 20.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.808 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -53.69 -42.47 68.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.743 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 p -68.05 -17.33 22.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.438 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.88 59.83 0.79 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.634 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . 0.509 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.304 -1.393 0 O-C-N 120.119 -1.613 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.431 ' O ' ' OD2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.8 t -50.91 -26.71 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.767 0.318 . . . . 0.0 110.507 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.5 t -58.25 -53.67 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.733 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.431 ' OD2' ' O ' ' A' ' 1' ' ' GLY . 2.7 p30 -66.74 -30.42 70.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.629 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 mm -67.37 -33.62 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.346 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.834 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -79.45 -37.3 37.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.427 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -51.32 -12.0 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.631 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.466 ' N ' ' C ' ' A' ' 6' ' ' LEU . . . -59.31 -49.02 82.98 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.5 -31.27 57.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.787 0.327 . . . . 0.0 110.506 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.78 -50.0 46.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -70.66 -30.45 67.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.807 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -71.11 -47.53 57.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.992 0.425 . . . . 0.0 110.395 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 80.1 mt -51.62 -24.86 4.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.19 -21.73 13.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.222 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.49 -63.23 0.8 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -51.38 -39.4 57.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.902 0.382 . . . . 0.0 110.14 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.581 ' CD2' ' N ' ' A' ' 17' ' ' LEU . 1.6 mm? -67.73 -41.44 83.43 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.197 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.481 ' O ' HG12 ' A' ' 21' ' ' VAL . . . -63.79 -31.21 72.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.59 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.53 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 3.8 t -46.33 -27.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.617 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -58.52 -50.62 73.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.578 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 21' ' ' VAL . 3.3 p -79.59 -7.26 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.356 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.85 69.43 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . 0.53 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 120.093 -1.629 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.429 ' O ' ' OD1' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.492 2.398 0 N-CA-C 109.464 -1.455 . . . . 0.0 109.464 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.425 ' H ' HG23 ' A' ' 2' ' ' VAL . 12.2 t -47.73 -26.45 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.914 0.388 . . . . 0.0 110.576 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.0 t -63.82 -53.75 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.731 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 5' ' ' ILE . 2.5 p30 -54.74 -35.34 63.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.521 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.529 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 13.3 mt -59.13 -28.48 39.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.232 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.807 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -76.42 -39.2 54.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.051 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 25.4 mmtm -55.6 -10.63 0.71 Allowed 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 6' ' ' LEU . . . -73.6 -35.81 54.9 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.02 -31.86 63.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.229 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.46 -38.8 75.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.451 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.45 ' C ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -77.82 -31.59 51.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.187 179.782 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -73.64 -47.71 37.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.505 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.1 mt -52.7 -25.08 7.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.423 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.82 -21.9 13.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.132 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.91 -62.39 0.79 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -51.4 -39.08 56.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.909 0.385 . . . . 0.0 110.064 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.59 ' CD2' ' N ' ' A' ' 17' ' ' LEU . 1.6 mm? -68.73 -41.39 79.05 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.282 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.17 -27.61 62.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.565 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 3.9 t -74.96 -32.68 61.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.58 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -55.6 -46.24 77.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.626 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 21' ' ' VAL . 4.3 p -71.76 -15.44 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.609 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.83 66.77 0.67 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.662 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . 0.526 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 120.044 -1.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' O ' ' OD1' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.593 ' HA ' HD12 ' A' ' 5' ' ' ILE . 95.9 t -64.21 -26.68 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.646 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.7 t -56.25 -53.44 39.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.775 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.534 ' OD2' ' N ' ' A' ' 5' ' ' ILE . 2.6 p30 -61.53 -36.33 80.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' A' ' 2' ' ' VAL . 82.5 mt -57.74 -29.18 34.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.739 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -76.85 -37.87 54.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.449 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.456 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 65.0 mmtt -59.85 -7.01 1.44 Allowed 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 121.128 0.49 . . . . 0.0 109.957 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 6' ' ' LEU . . . -67.34 -46.28 72.18 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.27 -31.59 58.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.743 0.306 . . . . 0.0 110.703 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.93 -50.4 46.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.043 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 15' ' ' GLY . 16.5 ptmt -77.77 -30.68 51.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.769 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -64.46 -47.43 79.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 0.0 110.464 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.9 mt -52.0 -25.71 6.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.02 -23.09 15.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.565 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -81.32 -61.69 2.06 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 109.719 -1.352 . . . . 0.0 109.719 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -51.6 -31.83 26.43 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.954 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -51.18 -34.53 32.02 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.544 179.533 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.92 -19.91 33.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.593 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 t -86.57 -41.52 14.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.784 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -51.32 -38.77 54.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.723 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.431 ' H ' HG12 ' A' ' 21' ' ' VAL . 2.8 p -71.94 -27.04 26.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.357 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.7 mtt -93.72 -1.66 54.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.437 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 120.081 -1.637 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.436 ' O ' ' OD1' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -72.6 -26.42 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.618 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.5 t -66.33 -53.8 32.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.497 ' OD2' ' N ' ' A' ' 5' ' ' ILE . 2.2 p30 -53.07 -37.19 61.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.785 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.497 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 82.0 mt -61.9 -30.94 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.489 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.807 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -76.64 -37.95 55.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.227 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.406 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 9.6 mptt -58.0 -8.6 1.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 6' ' ' LEU . . . -69.69 -41.25 75.29 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.465 ' O ' ' OD1' ' A' ' 12' ' ' ASP . . . -73.78 -31.21 63.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.166 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.51 -34.41 17.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.315 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -74.37 -43.24 57.34 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.705 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.466 ' CG ' ' N ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -58.17 -46.48 85.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.803 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.466 ' N ' ' CG ' ' A' ' 12' ' ' ASP . 70.9 mt -49.63 -23.9 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 12' ' ' ASP . . . -103.66 -22.88 13.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.817 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.69 -61.49 0.72 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' ASP . 22.1 t60 -51.2 -39.7 57.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.892 0.377 . . . . 0.0 110.13 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 17' ' ' LEU . 1.5 mm? -66.25 -40.44 90.2 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.25 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.9 -21.14 10.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.461 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 3.6 t -78.59 -31.86 47.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.614 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -54.72 -45.03 74.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.563 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.5 p -70.33 -21.52 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.317 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.496 ' SD ' ' O ' ' A' ' 22' ' ' MET . 0.3 OUTLIER -148.53 67.43 1.07 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.6 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . 0.528 ' N ' ' O ' ' A' ' 19' ' ' SER . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.014 -1.679 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.422 ' N ' ' OD2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.561 -1.415 . . . . 0.0 109.561 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.9 p -47.56 -26.46 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.604 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 t -61.07 -53.59 46.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.8 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 5' ' ' ILE . 2.1 p30 -58.71 -34.89 71.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.837 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.447 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 5.0 mm -58.84 -37.92 69.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.539 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.685 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -73.83 -35.28 64.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.805 -179.729 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.446 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 7.9 mptt -53.39 -13.84 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 6' ' ' LEU . . . -55.4 -52.92 44.47 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.671 -0.971 . . . . 0.0 110.671 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.67 -31.82 59.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.62 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.24 -39.99 70.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.641 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' A' ' 15' ' ' GLY . 43.6 mttt -64.68 -38.0 89.49 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.633 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -73.82 -48.22 32.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 0.0 110.364 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.489 ' HA ' HD13 ' A' ' 17' ' ' LEU . 73.6 mt -62.74 -24.5 35.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.581 179.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.622 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -103.1 -19.96 14.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.704 -179.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -98.93 -64.63 0.84 Allowed Glycine 0 CA--C 1.523 0.566 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.79 -178.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -51.5 -39.24 57.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.836 0.35 . . . . 0.0 110.147 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.7 ' N ' HD12 ' A' ' 17' ' ' LEU . 8.2 mp -75.33 -43.03 52.98 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.931 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.622 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -52.94 -31.86 42.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.371 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.6 t -58.02 -34.08 69.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.475 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -55.88 -46.37 78.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.706 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.414 ' O ' HG22 ' A' ' 21' ' ' VAL . 7.7 p -88.71 -15.9 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.662 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 10.3 mtt -107.58 22.31 16.16 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.436 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.99 -1.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_