data_5u9r_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 5u9r _Structure_validation_residue.Date_analyzed 2017-03-24 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.9 t -56.11 -30.32 29.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.348 . . . . 0.0 110.635 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.7 t -64.84 -34.78 72.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -68.86 -30.52 69.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.228 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.418 HG21 HD13 ' A' ' 5' ' ' ILE . 97.2 mt -74.23 -34.1 36.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.502 ' HG ' ' N ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -67.97 -49.92 58.8 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.105 -178.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.502 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 6.2 ptmt -78.85 -29.44 44.58 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 120.681 0.277 . . . . 0.0 110.734 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.77 -31.28 60.53 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.106 -0.797 . . . . 0.0 111.106 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.87 -46.8 78.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 110.632 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.18 -54.24 22.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.713 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -54.36 -32.27 56.53 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.406 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.86 -38.32 87.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.502 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.8 mt -55.82 -46.58 80.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.407 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.2 -44.72 96.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.538 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.06 -25.16 75.62 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.665 ' CG ' ' HZ1' ' A' ' 20' ' ' LYS . 5.4 t60 -69.89 -46.11 66.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.751 0.31 . . . . 0.0 110.44 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.6 tp -51.99 -40.0 60.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.236 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.28 79.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.138 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.572 ' HG ' ' N ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -58.52 -52.25 66.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.307 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.665 ' HZ1' ' CG ' ' A' ' 16' ' ' HIS . 3.6 mmtp -52.14 -43.32 63.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.903 0.382 . . . . 0.0 110.32 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.6 t -63.69 -36.85 77.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.575 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 80.0 mtp -67.29 -45.66 75.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.695 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -41.86 -49.86 4.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.623 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 120.057 -1.652 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.0 t -51.39 -41.2 25.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.715 0.293 . . . . 0.0 110.527 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.0 p -54.6 -41.54 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.559 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -47.63 -30.47 3.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.584 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.9 mt -79.21 -55.08 10.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.315 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.516 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -63.73 -30.16 71.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.512 -179.087 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.444 ' C ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -79.0 -29.49 43.73 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.903 179.79 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.419 ' N ' ' CD ' ' A' ' 7' ' ' LYS . . . -62.86 -35.94 92.69 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.72 -37.14 83.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.805 0.335 . . . . 0.0 110.69 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.04 -42.37 76.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.748 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -58.48 -33.58 69.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.528 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -62.43 -33.5 74.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.507 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.0 mt -61.23 -40.16 85.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.64 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.51 -44.18 89.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.563 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.96 -25.07 65.56 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.61 ' NE2' ' NZ ' ' A' ' 20' ' ' LYS . 3.6 t60 -72.3 -52.21 17.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 0.0 110.452 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 tp -51.9 -36.28 48.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.382 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.7 -35.37 77.81 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.951 0.405 . . . . 0.0 110.105 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.477 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -62.63 -52.0 65.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.38 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.61 ' NZ ' ' NE2' ' A' ' 16' ' ' HIS . 15.2 mmtt -53.35 -45.57 69.19 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.834 0.349 . . . . 0.0 110.411 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.4 t -60.81 -43.16 94.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.418 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.7 mtt -67.65 -46.96 70.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.557 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' ' 19' ' ' SER . 52.8 m-80 -40.92 -55.5 2.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.673 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.078 -1.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.2 m -50.78 -34.49 13.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.756 0.312 . . . . 0.0 110.515 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.6 t -65.35 -56.86 13.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.823 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -55.47 -30.64 60.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.821 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.4 mt -74.76 -31.77 27.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.516 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.471 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -57.35 -23.18 47.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.732 -179.426 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.421 ' CD ' ' N ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -78.51 -29.32 46.52 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.995 179.732 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.421 ' N ' ' CD ' ' A' ' 7' ' ' LYS . . . -56.49 -47.59 82.54 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.73 -41.71 78.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.866 0.365 . . . . 0.0 110.768 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.79 -35.43 72.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.76 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -58.9 -33.18 70.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.481 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -70.65 -54.39 12.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.497 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.7 mt -60.6 -33.79 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.681 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.64 -38.76 82.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.707 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.73 -39.02 56.47 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.627 ' NE2' ' NZ ' ' A' ' 20' ' ' LYS . 3.4 t60 -72.53 -46.84 52.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.632 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.3 tp -52.09 -43.31 63.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.292 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.11 71.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.283 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.53 ' C ' HD21 ' A' ' 23' ' ' ASN . 0.4 OUTLIER -60.81 -51.15 70.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.503 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.627 ' NZ ' ' NE2' ' A' ' 16' ' ' HIS . 14.0 mmtt -50.38 -40.48 49.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.464 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.6 -49.33 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.677 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 65.8 mtm -66.07 -40.74 91.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.663 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.53 HD21 ' C ' ' A' ' 19' ' ' SER . 47.8 m-80 -43.19 -20.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.535 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . 0.438 ' N ' ' O ' ' A' ' 22' ' ' MET . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 119.99 -1.694 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.2 m -50.54 -35.4 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.816 0.341 . . . . 0.0 110.629 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.5 p -58.83 -46.11 91.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.507 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -69.75 -29.79 67.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.8 mt -77.7 -31.55 17.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.782 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.479 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -57.29 -37.43 72.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.349 -178.868 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 8' ' ' GLY . 1.7 ptmm? -71.32 -29.47 65.06 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 120.752 0.31 . . . . 0.0 111.174 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.414 ' N ' ' HG2' ' A' ' 7' ' ' LYS . . . -66.97 -36.59 91.21 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.4 -35.81 82.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 110.58 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.11 91.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -53.32 -32.59 49.71 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.976 0.417 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.86 -53.12 61.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.455 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.1 mt -64.6 -46.43 92.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.77 -36.74 74.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.645 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.28 -40.38 49.4 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.46 ' O ' ' OG ' ' A' ' 19' ' ' SER . 13.7 t60 -69.84 -26.69 64.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.331 . . . . 0.0 110.525 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.3 tp -55.4 -47.23 76.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.659 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.52 -27.0 60.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.335 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.527 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 45.4 p -54.53 -56.79 15.21 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -178.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.467 ' N ' ' HG ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -80.91 -2.55 48.04 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.459 -0.496 . . . . 0.0 112.114 -178.487 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.6 t -74.7 -54.7 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.374 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 29.9 mtt -63.05 -38.88 92.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.539 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 19' ' ' SER . 37.3 m-80 -45.39 -16.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.513 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' MET . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 120.052 -1.655 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.6 t -54.75 -35.73 34.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.742 0.306 . . . . 0.0 110.544 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.16 -35.97 69.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.676 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -69.14 -31.12 69.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.765 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.432 HG22 HD11 ' A' ' 5' ' ' ILE . 98.2 mt -77.84 -42.34 28.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.28 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.528 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -67.65 -39.8 84.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.415 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' CD ' ' N ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -79.43 -29.44 41.89 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 120.724 -0.39 . . . . 0.0 109.958 179.348 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.418 ' N ' ' CD ' ' A' ' 7' ' ' LYS . . . -60.08 -50.59 66.04 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.07 -42.04 99.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 110.638 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.69 92.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.775 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt -54.28 -32.48 56.36 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.023 0.44 . . . . 0.0 110.525 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.4 -53.87 51.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.509 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.5 mt -65.57 -55.26 20.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.522 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.89 -43.36 90.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.512 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.3 -38.77 93.79 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.622 ' CD2' ' NZ ' ' A' ' 20' ' ' LYS . 4.3 t60 -72.46 -44.53 62.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.842 0.354 . . . . 0.0 110.454 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.9 tp -52.09 -43.7 64.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.139 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.56 -31.97 72.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.148 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.566 ' HG ' ' N ' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -58.81 -50.87 72.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.38 179.837 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.622 ' NZ ' ' CD2' ' A' ' 16' ' ' HIS . 16.2 mmtt -51.0 -39.61 56.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.413 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.74 -47.82 91.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.594 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 49.2 mtt -66.15 -43.77 86.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.604 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -41.81 -28.19 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.677 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.944 -1.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 109.621 -1.391 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.41 -40.21 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.547 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.67 -43.51 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.535 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -49.49 -30.39 8.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 80.5 mt -70.6 -45.13 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.596 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.512 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -70.97 -37.43 72.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.29 -179.043 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.454 ' CD ' ' C ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -79.47 -29.63 41.8 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.779 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.442 ' N ' ' CD ' ' A' ' 7' ' ' LYS . . . -73.63 -35.64 55.02 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.43 -33.64 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 0.0 110.536 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.63 -52.03 62.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.615 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -57.48 -32.83 67.37 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.131 0.491 . . . . 0.0 110.322 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -64.04 -42.27 97.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.637 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.09 -47.41 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.521 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.64 -40.64 97.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.619 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.77 -47.1 42.04 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.632 ' NE2' ' NZ ' ' A' ' 20' ' ' LYS . 4.3 t60 -67.23 -41.51 85.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.493 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.8 tp -52.22 -42.16 63.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.31 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.04 85.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.371 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.01 -57.48 10.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.34 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.632 ' NZ ' ' NE2' ' A' ' 16' ' ' HIS . 18.3 mmtt -53.13 -44.28 67.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.918 0.39 . . . . 0.0 110.386 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.5 t -61.74 -39.05 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 35.7 mtp -68.76 -46.56 68.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.617 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -41.94 -57.78 2.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.519 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 120.095 -1.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.3 p -60.94 -34.27 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.747 0.308 . . . . 0.0 110.608 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -58.5 -38.04 68.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.611 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.482 ' O ' ' CD ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -69.31 -30.22 68.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.607 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 60.0 mt -76.67 -31.47 19.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.704 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.486 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -56.98 -33.44 67.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.568 -178.855 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.482 ' CD ' ' O ' ' A' ' 4' ' ' ASP . 2.0 ptmm? -72.0 -29.19 63.96 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.24 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.412 ' N ' ' HG2' ' A' ' 7' ' ' LYS . . . -61.72 -53.62 42.06 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.51 -46.14 91.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 110.541 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.93 93.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.7 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -54.32 -32.4 56.52 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.431 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -63.25 -42.54 99.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.487 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.5 mt -58.92 -33.82 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.598 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.65 -42.77 89.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.615 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.86 -42.82 98.32 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.636 ' NE2' ' NZ ' ' A' ' 20' ' ' LYS . 4.4 t60 -71.93 -44.32 63.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.729 0.3 . . . . 0.0 110.532 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 tt -52.01 -42.03 62.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.375 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.68 -36.07 81.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.262 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.37 -51.68 66.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.419 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.636 ' NZ ' ' NE2' ' A' ' 16' ' ' HIS . 18.2 mmtt -52.73 -45.39 66.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.306 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.6 -38.77 82.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.449 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 60.4 mtt -68.02 -46.72 70.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.731 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -39.9 -66.41 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.753 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 120.025 -1.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.9 m -51.46 -36.08 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.561 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.4 t -63.31 -42.14 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.689 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -69.22 -30.56 68.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.682 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 92.8 mt -77.25 -31.84 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.635 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.527 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -55.16 -24.93 29.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.858 0.361 . . . . 0.0 110.636 -179.391 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.432 ' CD ' ' N ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -78.53 -29.48 46.49 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.847 179.552 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.432 ' N ' ' CD ' ' A' ' 7' ' ' LYS . . . -60.6 -32.91 79.93 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.39 -52.94 61.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.707 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.62 -41.8 67.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.595 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -62.19 -34.06 75.73 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.447 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -68.58 -45.58 71.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.712 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.6 mt -56.33 -46.09 81.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.509 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.94 -28.63 66.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.06 -44.73 11.27 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.628 ' NE2' ' NZ ' ' A' ' 20' ' ' LYS . 2.7 t60 -70.78 -46.11 63.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.77 0.319 . . . . 0.0 110.485 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.1 tp -51.83 -41.37 61.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.085 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.03 -31.66 72.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.137 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.92 -51.33 70.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.525 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.628 ' NZ ' ' NE2' ' A' ' 16' ' ' HIS . 18.3 mmtt -49.68 -38.01 31.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.504 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.3 t -68.37 -34.58 66.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.512 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 7.9 mtt -71.66 -37.74 70.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.889 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.488 ' N ' HD21 ' A' ' 23' ' ' ASN . 0.9 OUTLIER -39.74 -27.56 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.704 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . 0.422 ' N ' ' O ' ' A' ' 22' ' ' MET . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.106 -1.621 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p -51.04 -35.35 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.769 0.318 . . . . 0.0 110.53 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.09 -46.21 92.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.636 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -47.35 -30.28 3.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.601 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.406 HG21 HD12 ' A' ' 5' ' ' ILE . 96.9 mt -82.03 -52.63 13.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.313 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.484 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -66.67 -18.66 65.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.6 -179.103 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.456 ' C ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -78.58 -29.39 46.13 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.393 -0.523 . . . . 0.0 109.806 179.755 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.445 ' N ' ' CD ' ' A' ' 7' ' ' LYS . . . -69.79 -58.37 6.38 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.28 -36.84 83.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 110.579 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.91 -40.7 94.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.74 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -57.34 -33.26 67.57 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.009 0.433 . . . . 0.0 110.521 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -64.89 -46.29 82.37 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.431 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.4 mt -61.03 -50.41 80.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.493 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.64 -35.9 73.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.496 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.19 -40.76 70.95 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.639 ' NE2' ' NZ ' ' A' ' 20' ' ' LYS . 2.7 t60 -72.56 -45.0 61.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.334 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 tp -52.14 -36.48 51.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.27 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.81 -33.67 74.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.172 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.514 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -57.48 -49.14 77.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.397 179.845 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.639 ' NZ ' ' NE2' ' A' ' 16' ' ' HIS . 14.2 mmtt -53.71 -46.57 70.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.866 0.365 . . . . 0.0 110.357 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.6 t -65.42 -39.33 84.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.357 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.4 mtp -68.73 -40.52 79.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.65 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 19' ' ' SER . 41.2 m-80 -48.35 -25.07 1.43 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.464 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 120.036 -1.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.7 m -58.83 -35.02 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.752 0.311 . . . . 0.0 110.566 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.37 -42.59 91.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.536 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -47.66 -30.69 3.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.69 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.0 mt -80.13 -55.35 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.338 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.51 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -62.42 -30.53 71.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.427 -179.05 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.438 ' C ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -78.96 -29.43 43.92 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.809 179.805 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.419 ' N ' ' CD ' ' A' ' 7' ' ' LYS . . . -61.0 -48.22 87.38 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.22 -40.3 78.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.542 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.03 -37.07 83.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.778 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -52.65 -32.0 39.85 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.032 0.444 . . . . 0.0 110.493 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -67.92 -53.13 28.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.495 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.6 mt -61.83 -36.27 72.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.72 -45.29 89.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.542 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.24 -19.39 66.21 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.474 ' C ' ' HZ1' ' A' ' 20' ' ' LYS . 1.7 t60 -70.84 -39.5 72.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.911 0.386 . . . . 0.0 110.436 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 tp -52.24 -36.41 52.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.574 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.86 -32.26 67.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.594 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.509 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -56.49 -54.63 43.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.414 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.474 ' HZ1' ' C ' ' A' ' 16' ' ' HIS . 1.9 mmtp -51.16 -41.85 60.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.388 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.8 t -65.09 -48.23 84.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.666 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.3 mtt -64.79 -41.88 95.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.758 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 19' ' ' SER . 1.0 OUTLIER -42.74 -65.01 0.52 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.516 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 120.043 -1.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.9 t -56.11 -30.32 29.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.348 . . . . 0.0 110.635 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.7 t -64.84 -34.78 72.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -68.86 -30.52 69.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.228 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 97.2 mt -74.23 -34.1 36.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.737 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -67.97 -49.92 58.8 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.105 -178.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.526 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 6.2 ptmt -78.85 -29.44 44.58 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 120.681 0.277 . . . . 0.0 110.734 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.77 -31.28 60.53 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.106 -0.797 . . . . 0.0 111.106 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.87 -46.8 78.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 110.632 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.18 -54.24 22.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.713 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -54.36 -32.27 56.53 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.406 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.86 -38.32 87.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.502 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.8 mt -55.82 -46.58 80.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.407 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.2 -44.72 96.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.538 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.06 -25.16 75.62 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.517 ' CE1' ' HE2' ' A' ' 20' ' ' LYS . 2.1 t-160 -69.89 -46.11 66.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.751 0.31 . . . . 0.0 110.44 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.6 tp -51.99 -40.0 60.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.236 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.28 79.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.138 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -52.25 66.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.307 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HE2' ' CE1' ' A' ' 16' ' ' HIS . 3.6 mmtp -52.14 -43.32 63.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.903 0.382 . . . . 0.0 110.32 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.6 t -63.69 -36.85 77.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.575 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 80.0 mtp -67.29 -45.66 75.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.695 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -41.86 -49.86 4.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.623 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 120.057 -1.652 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.0 t -51.39 -41.2 25.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.715 0.293 . . . . 0.0 110.527 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.507 HG13 ' N ' ' A' ' 4' ' ' ASP . 11.0 p -54.6 -41.54 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.559 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.507 ' N ' HG13 ' A' ' 3' ' ' VAL . 11.0 t0 -47.63 -30.47 3.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.584 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.9 mt -79.21 -55.08 10.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.315 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.747 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -63.73 -30.16 71.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.512 -179.087 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.444 ' C ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -79.0 -29.49 43.73 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.903 179.79 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.419 ' N ' ' CD ' ' A' ' 7' ' ' LYS . . . -62.86 -35.94 92.69 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.72 -37.14 83.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.805 0.335 . . . . 0.0 110.69 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.04 -42.37 76.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.748 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -58.48 -33.58 69.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.528 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -62.43 -33.5 74.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.507 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.0 mt -61.23 -40.16 85.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.64 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.51 -44.18 89.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.563 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.96 -25.07 65.56 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.573 ' CE1' ' HZ1' ' A' ' 20' ' ' LYS . 3.6 t60 -72.3 -52.21 17.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 0.0 110.452 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 tp -51.9 -36.28 48.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.382 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.7 -35.37 77.81 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.951 0.405 . . . . 0.0 110.105 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -52.0 65.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.38 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HZ1' ' CE1' ' A' ' 16' ' ' HIS . 15.2 mmtt -53.35 -45.57 69.19 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.834 0.349 . . . . 0.0 110.411 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.4 t -60.81 -43.16 94.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.418 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.7 mtt -67.65 -46.96 70.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.557 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -40.92 -55.5 2.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.673 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.078 -1.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.2 m -50.78 -34.49 13.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.756 0.312 . . . . 0.0 110.515 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.6 t -65.35 -56.86 13.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.823 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -55.47 -30.64 60.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.821 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.4 mt -74.76 -31.77 27.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.516 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.695 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -57.35 -23.18 47.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.732 -179.426 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -78.51 -29.32 46.52 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.995 179.732 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.422 ' N ' ' HD2' ' A' ' 7' ' ' LYS . . . -56.49 -47.59 82.54 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.73 -41.71 78.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.866 0.365 . . . . 0.0 110.768 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.79 -35.43 72.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.76 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -58.9 -33.18 70.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.481 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -70.65 -54.39 12.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.497 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.7 mt -60.6 -33.79 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.681 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.64 -38.76 82.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.707 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.73 -39.02 56.47 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.902 ' CD2' ' HZ1' ' A' ' 20' ' ' LYS . 3.4 t60 -72.53 -46.84 52.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.632 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.3 tp -52.09 -43.31 63.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.292 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.11 71.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.283 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.81 -51.15 70.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.503 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.902 ' HZ1' ' CD2' ' A' ' 16' ' ' HIS . 14.0 mmtt -50.38 -40.48 49.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.464 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.6 -49.33 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.677 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 65.8 mtm -66.07 -40.74 91.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.663 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -43.19 -20.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.535 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . 0.438 ' N ' ' O ' ' A' ' 22' ' ' MET . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 119.99 -1.694 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.2 m -50.54 -35.4 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.816 0.341 . . . . 0.0 110.629 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.481 ' HA ' HD23 ' A' ' 6' ' ' LEU . 3.5 p -58.83 -46.11 91.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.507 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.476 ' N ' HG13 ' A' ' 3' ' ' VAL . 16.2 t70 -69.75 -29.79 67.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.8 mt -77.7 -31.55 17.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.782 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.702 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -57.29 -37.43 72.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.349 -178.868 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 8' ' ' GLY . 1.7 ptmm? -71.32 -29.47 65.06 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 120.752 0.31 . . . . 0.0 111.174 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.431 ' N ' ' HG2' ' A' ' 7' ' ' LYS . . . -66.97 -36.59 91.21 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.4 -35.81 82.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 110.58 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.11 91.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' HZ2' ' HB3' ' A' ' 11' ' ' LYS . 8.0 mtpp -53.32 -32.59 49.71 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.976 0.417 . . . . 0.0 110.523 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.86 -53.12 61.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.455 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.1 mt -64.6 -46.43 92.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.77 -36.74 74.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.645 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.28 -40.38 49.4 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -69.84 -26.69 64.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.331 . . . . 0.0 110.525 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.69 ' O ' HG23 ' A' ' 21' ' ' VAL . 35.3 tp -55.4 -47.23 76.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.659 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.52 -27.0 60.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.335 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.527 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 45.4 p -54.53 -56.79 15.21 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -178.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.488 ' CD ' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -80.91 -2.55 48.04 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.459 -0.496 . . . . 0.0 112.114 -178.487 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 17' ' ' LEU . 17.6 t -74.7 -54.7 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.374 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 29.9 mtt -63.05 -38.88 92.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.539 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 19' ' ' SER . 37.3 m-80 -45.39 -16.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.513 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' MET . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 120.052 -1.655 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.6 t -54.75 -35.73 34.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.742 0.306 . . . . 0.0 110.544 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.16 -35.97 69.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.676 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -69.14 -31.12 69.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.765 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 98.2 mt -77.84 -42.34 28.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.28 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.766 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -67.65 -39.8 84.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.415 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.422 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -79.43 -29.44 41.89 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 120.724 -0.39 . . . . 0.0 109.958 179.348 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.42 ' N ' ' HD2' ' A' ' 7' ' ' LYS . . . -60.08 -50.59 66.04 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.07 -42.04 99.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 110.638 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.69 92.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.775 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt -54.28 -32.48 56.36 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.023 0.44 . . . . 0.0 110.525 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.4 -53.87 51.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.509 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.5 mt -65.57 -55.26 20.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.522 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.89 -43.36 90.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.512 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.3 -38.77 93.79 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.622 ' CD2' ' NZ ' ' A' ' 20' ' ' LYS . 4.3 t60 -72.46 -44.53 62.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.842 0.354 . . . . 0.0 110.454 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.9 tp -52.09 -43.7 64.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.139 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.56 -31.97 72.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.148 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.81 -50.87 72.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.38 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.622 ' NZ ' ' CD2' ' A' ' 16' ' ' HIS . 16.2 mmtt -51.0 -39.61 56.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.413 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.74 -47.82 91.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.594 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 49.2 mtt -66.15 -43.77 86.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.604 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -41.81 -28.19 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.677 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.944 -1.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 109.621 -1.391 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.41 -40.21 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.547 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.492 HG13 ' N ' ' A' ' 4' ' ' ASP . 7.6 p -60.67 -43.51 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.535 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.492 ' N ' HG13 ' A' ' 3' ' ' VAL . 11.8 t70 -49.49 -30.39 8.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 80.5 mt -70.6 -45.13 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.596 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.735 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -70.97 -37.43 72.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.29 -179.043 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.454 ' CD ' ' C ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -79.47 -29.63 41.8 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.779 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.442 ' N ' ' CD ' ' A' ' 7' ' ' LYS . . . -73.63 -35.64 55.02 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.43 -33.64 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 0.0 110.536 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.63 -52.03 62.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.615 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -57.48 -32.83 67.37 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.131 0.491 . . . . 0.0 110.322 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -64.04 -42.27 97.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.637 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.09 -47.41 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.521 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.64 -40.64 97.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.619 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.77 -47.1 42.04 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.597 ' NE2' ' NZ ' ' A' ' 20' ' ' LYS . 4.3 t60 -67.23 -41.51 85.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.493 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.8 tp -52.22 -42.16 63.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.31 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.04 85.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.371 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.01 -57.48 10.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.34 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.597 ' NZ ' ' NE2' ' A' ' 16' ' ' HIS . 18.3 mmtt -53.13 -44.28 67.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.918 0.39 . . . . 0.0 110.386 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.5 t -61.74 -39.05 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 35.7 mtp -68.76 -46.56 68.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.617 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -41.94 -57.78 2.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.519 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 120.095 -1.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.3 p -60.94 -34.27 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.747 0.308 . . . . 0.0 110.608 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 4' ' ' ASP . 7.4 p -58.5 -38.04 68.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.611 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.482 ' O ' ' CD ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -69.31 -30.22 68.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.607 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 60.0 mt -76.67 -31.47 19.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.704 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.697 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -56.98 -33.44 67.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.568 -178.855 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.482 ' CD ' ' O ' ' A' ' 4' ' ' ASP . 2.0 ptmm? -72.0 -29.19 63.96 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.24 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.445 ' N ' ' HG2' ' A' ' 7' ' ' LYS . . . -61.72 -53.62 42.06 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.51 -46.14 91.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 110.541 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.93 93.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.7 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -54.32 -32.4 56.52 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.431 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -63.25 -42.54 99.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.487 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.5 mt -58.92 -33.82 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.598 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.65 -42.77 89.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.615 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.86 -42.82 98.32 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.769 ' CD2' ' HZ1' ' A' ' 20' ' ' LYS . 4.4 t60 -71.93 -44.32 63.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.729 0.3 . . . . 0.0 110.532 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 tt -52.01 -42.03 62.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.375 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.68 -36.07 81.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.262 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.37 -51.68 66.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.419 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.769 ' HZ1' ' CD2' ' A' ' 16' ' ' HIS . 18.2 mmtt -52.73 -45.39 66.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.306 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.6 -38.77 82.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.449 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 60.4 mtt -68.02 -46.72 70.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.731 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -39.9 -66.41 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.753 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 120.025 -1.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.9 m -51.46 -36.08 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.561 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.437 ' HA ' HD23 ' A' ' 6' ' ' LEU . 15.4 t -63.31 -42.14 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.689 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -69.22 -30.56 68.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.682 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 92.8 mt -77.25 -31.84 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.635 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.743 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -55.16 -24.93 29.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.858 0.361 . . . . 0.0 110.636 -179.391 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.432 ' CD ' ' N ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -78.53 -29.48 46.49 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.847 179.552 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.432 ' N ' ' CD ' ' A' ' 7' ' ' LYS . . . -60.6 -32.91 79.93 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.39 -52.94 61.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.707 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.62 -41.8 67.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.595 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -62.19 -34.06 75.73 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.447 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -68.58 -45.58 71.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.712 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.6 mt -56.33 -46.09 81.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.509 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.94 -28.63 66.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.06 -44.73 11.27 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.675 ' CD2' ' HZ1' ' A' ' 20' ' ' LYS . 2.7 t60 -70.78 -46.11 63.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.77 0.319 . . . . 0.0 110.485 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.1 tp -51.83 -41.37 61.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.085 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.03 -31.66 72.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.137 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.92 -51.33 70.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.525 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.675 ' HZ1' ' CD2' ' A' ' 16' ' ' HIS . 18.3 mmtt -49.68 -38.01 31.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.504 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.3 t -68.37 -34.58 66.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.512 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 7.9 mtt -71.66 -37.74 70.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.889 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -39.74 -27.56 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.704 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . 0.422 ' N ' ' O ' ' A' ' 22' ' ' MET . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.106 -1.621 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p -51.04 -35.35 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.769 0.318 . . . . 0.0 110.53 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.09 -46.21 92.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.636 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -47.35 -30.28 3.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.601 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.9 mt -82.03 -52.63 13.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.313 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.782 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -66.67 -18.66 65.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.6 -179.103 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.456 ' C ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -78.58 -29.39 46.13 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.393 -0.523 . . . . 0.0 109.806 179.755 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.445 ' N ' ' CD ' ' A' ' 7' ' ' LYS . . . -69.79 -58.37 6.38 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.28 -36.84 83.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 110.579 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.91 -40.7 94.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.74 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -57.34 -33.26 67.57 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.009 0.433 . . . . 0.0 110.521 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -64.89 -46.29 82.37 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.431 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.4 mt -61.03 -50.41 80.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.493 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.64 -35.9 73.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.496 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.19 -40.76 70.95 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.755 ' CD2' ' HZ1' ' A' ' 20' ' ' LYS . 2.7 t60 -72.56 -45.0 61.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.334 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 tp -52.14 -36.48 51.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.27 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.81 -33.67 74.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.172 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.48 -49.14 77.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.397 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.755 ' HZ1' ' CD2' ' A' ' 16' ' ' HIS . 14.2 mmtt -53.71 -46.57 70.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.866 0.365 . . . . 0.0 110.357 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.6 t -65.42 -39.33 84.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.357 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.4 mtp -68.73 -40.52 79.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.65 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -48.35 -25.07 1.43 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.464 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 120.036 -1.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.412 HG22 ' H ' ' A' ' 2' ' ' VAL . 10.7 m -58.83 -35.02 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.752 0.311 . . . . 0.0 110.566 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 4' ' ' ASP . 7.3 p -60.37 -42.59 91.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.536 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.499 ' N ' HG13 ' A' ' 3' ' ' VAL . 27.5 t0 -47.66 -30.69 3.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.69 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.0 mt -80.13 -55.35 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.338 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.743 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -62.42 -30.53 71.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.427 -179.05 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.438 ' C ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -78.96 -29.43 43.92 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.809 179.805 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.419 ' N ' ' CD ' ' A' ' 7' ' ' LYS . . . -61.0 -48.22 87.38 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.22 -40.3 78.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.542 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.03 -37.07 83.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.778 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -52.65 -32.0 39.85 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.032 0.444 . . . . 0.0 110.493 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -67.92 -53.13 28.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.495 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.6 mt -61.83 -36.27 72.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.72 -45.29 89.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.542 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.24 -19.39 66.21 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.54 ' CE1' ' HE2' ' A' ' 20' ' ' LYS . 2.9 t-160 -70.84 -39.5 72.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.911 0.386 . . . . 0.0 110.436 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 tp -52.24 -36.41 52.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.574 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.86 -32.26 67.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.594 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -54.63 43.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.414 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HE2' ' CE1' ' A' ' 16' ' ' HIS . 1.9 mmtp -51.16 -41.85 60.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.388 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.8 t -65.09 -48.23 84.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.666 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.3 mtt -64.79 -41.88 95.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.758 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -42.74 -65.01 0.52 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.516 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 120.043 -1.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.9 t -56.11 -30.32 29.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.348 . . . . 0.0 110.635 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.7 t -64.84 -34.78 72.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -68.86 -30.52 69.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.228 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 97.2 mt -74.23 -34.1 36.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.737 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -67.97 -49.92 58.8 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.105 -178.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.526 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 6.2 ptmt -78.85 -29.44 44.58 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 120.681 0.277 . . . . 0.0 110.734 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.77 -31.28 60.53 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.106 -0.797 . . . . 0.0 111.106 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.87 -46.8 78.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 110.632 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.18 -54.24 22.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.713 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -54.36 -32.27 56.53 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.406 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.86 -38.32 87.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.502 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.8 mt -55.82 -46.58 80.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.407 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.2 -44.72 96.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.538 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.06 -25.16 75.62 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.599 ' CD2' ' NZ ' ' A' ' 20' ' ' LYS . 5.4 t60 -69.89 -46.11 66.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.751 0.31 . . . . 0.0 110.44 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.6 tp -51.99 -40.0 60.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.236 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.28 79.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.138 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -52.25 66.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.307 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.599 ' NZ ' ' CD2' ' A' ' 16' ' ' HIS . 3.6 mmtp -52.14 -43.32 63.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.903 0.382 . . . . 0.0 110.32 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.6 t -63.69 -36.85 77.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.575 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 80.0 mtp -67.29 -45.66 75.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.695 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -41.86 -49.86 4.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.623 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 120.057 -1.652 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.0 t -51.39 -41.2 25.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.715 0.293 . . . . 0.0 110.527 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.507 HG13 ' N ' ' A' ' 4' ' ' ASP . 11.0 p -54.6 -41.54 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.559 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.507 ' N ' HG13 ' A' ' 3' ' ' VAL . 11.0 t0 -47.63 -30.47 3.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.584 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.9 mt -79.21 -55.08 10.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.315 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.747 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -63.73 -30.16 71.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.512 -179.087 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.444 ' C ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -79.0 -29.49 43.73 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.903 179.79 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.419 ' N ' ' CD ' ' A' ' 7' ' ' LYS . . . -62.86 -35.94 92.69 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.72 -37.14 83.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.805 0.335 . . . . 0.0 110.69 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.04 -42.37 76.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.748 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -58.48 -33.58 69.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.528 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -62.43 -33.5 74.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.507 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.0 mt -61.23 -40.16 85.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.64 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.51 -44.18 89.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.563 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.96 -25.07 65.56 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.573 ' CE1' ' HZ1' ' A' ' 20' ' ' LYS . 3.6 t60 -72.3 -52.21 17.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 0.0 110.452 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 tp -51.9 -36.28 48.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.382 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.7 -35.37 77.81 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.951 0.405 . . . . 0.0 110.105 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.477 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -62.63 -52.0 65.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.38 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HZ1' ' CE1' ' A' ' 16' ' ' HIS . 15.2 mmtt -53.35 -45.57 69.19 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.834 0.349 . . . . 0.0 110.411 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.4 t -60.81 -43.16 94.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.418 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.7 mtt -67.65 -46.96 70.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.557 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' ' 19' ' ' SER . 52.8 m-80 -40.92 -55.5 2.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.673 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.078 -1.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.2 m -50.78 -34.49 13.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.756 0.312 . . . . 0.0 110.515 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.6 t -65.35 -56.86 13.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.823 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -55.47 -30.64 60.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.821 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.4 mt -74.76 -31.77 27.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.516 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.695 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -57.35 -23.18 47.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.732 -179.426 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -78.51 -29.32 46.52 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.995 179.732 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.422 ' N ' ' HD2' ' A' ' 7' ' ' LYS . . . -56.49 -47.59 82.54 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.73 -41.71 78.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.866 0.365 . . . . 0.0 110.768 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.79 -35.43 72.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.76 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -58.9 -33.18 70.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.481 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -70.65 -54.39 12.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.497 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.7 mt -60.6 -33.79 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.681 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.64 -38.76 82.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.707 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.73 -39.02 56.47 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.902 ' CD2' ' HZ1' ' A' ' 20' ' ' LYS . 3.4 t60 -72.53 -46.84 52.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.632 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.3 tp -52.09 -43.31 63.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.292 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.11 71.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.283 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.553 ' C ' HD22 ' A' ' 23' ' ' ASN . 0.4 OUTLIER -60.81 -51.15 70.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.503 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.902 ' HZ1' ' CD2' ' A' ' 16' ' ' HIS . 14.0 mmtt -50.38 -40.48 49.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.464 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.6 -49.33 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.677 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 65.8 mtm -66.07 -40.74 91.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.663 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.553 HD22 ' C ' ' A' ' 19' ' ' SER . 47.8 m-80 -43.19 -20.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.535 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . 0.438 ' N ' ' O ' ' A' ' 22' ' ' MET . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 119.99 -1.694 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.2 m -50.54 -35.4 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.816 0.341 . . . . 0.0 110.629 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.481 ' HA ' HD23 ' A' ' 6' ' ' LEU . 3.5 p -58.83 -46.11 91.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.507 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.476 ' N ' HG13 ' A' ' 3' ' ' VAL . 16.2 t70 -69.75 -29.79 67.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.8 mt -77.7 -31.55 17.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.782 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.702 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -57.29 -37.43 72.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.349 -178.868 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 8' ' ' GLY . 1.7 ptmm? -71.32 -29.47 65.06 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 120.752 0.31 . . . . 0.0 111.174 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.431 ' N ' ' HG2' ' A' ' 7' ' ' LYS . . . -66.97 -36.59 91.21 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.4 -35.81 82.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 110.58 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.11 91.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' HZ2' ' HB3' ' A' ' 11' ' ' LYS . 8.0 mtpp -53.32 -32.59 49.71 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.976 0.417 . . . . 0.0 110.523 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.86 -53.12 61.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.455 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.1 mt -64.6 -46.43 92.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.77 -36.74 74.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.645 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.28 -40.38 49.4 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -69.84 -26.69 64.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.331 . . . . 0.0 110.525 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.69 ' O ' HG23 ' A' ' 21' ' ' VAL . 35.3 tp -55.4 -47.23 76.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.659 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.52 -27.0 60.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.335 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.527 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 45.4 p -54.53 -56.79 15.21 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -178.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.488 ' CD ' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -80.91 -2.55 48.04 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.459 -0.496 . . . . 0.0 112.114 -178.487 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 17' ' ' LEU . 17.6 t -74.7 -54.7 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.374 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 29.9 mtt -63.05 -38.88 92.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.539 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 19' ' ' SER . 37.3 m-80 -45.39 -16.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.513 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' MET . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 120.052 -1.655 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.6 t -54.75 -35.73 34.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.742 0.306 . . . . 0.0 110.544 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.16 -35.97 69.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.676 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -69.14 -31.12 69.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.765 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 98.2 mt -77.84 -42.34 28.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.28 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.766 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -67.65 -39.8 84.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.415 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.422 ' N ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -79.43 -29.44 41.89 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 120.724 -0.39 . . . . 0.0 109.958 179.348 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.42 ' N ' ' HD2' ' A' ' 7' ' ' LYS . . . -60.08 -50.59 66.04 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.07 -42.04 99.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 110.638 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.69 92.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.775 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt -54.28 -32.48 56.36 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.023 0.44 . . . . 0.0 110.525 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.4 -53.87 51.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.509 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.5 mt -65.57 -55.26 20.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.522 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.89 -43.36 90.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.512 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.3 -38.77 93.79 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.622 ' CD2' ' NZ ' ' A' ' 20' ' ' LYS . 4.3 t60 -72.46 -44.53 62.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.842 0.354 . . . . 0.0 110.454 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.9 tp -52.09 -43.7 64.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.139 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.56 -31.97 72.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.148 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.81 -50.87 72.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.38 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.622 ' NZ ' ' CD2' ' A' ' 16' ' ' HIS . 16.2 mmtt -51.0 -39.61 56.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.413 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.74 -47.82 91.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.594 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 49.2 mtt -66.15 -43.77 86.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.604 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -41.81 -28.19 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.677 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.944 -1.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 109.621 -1.391 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.41 -40.21 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.547 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.492 HG13 ' N ' ' A' ' 4' ' ' ASP . 7.6 p -60.67 -43.51 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.535 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.492 ' N ' HG13 ' A' ' 3' ' ' VAL . 11.8 t70 -49.49 -30.39 8.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 80.5 mt -70.6 -45.13 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.596 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.735 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -70.97 -37.43 72.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.29 -179.043 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.454 ' CD ' ' C ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -79.47 -29.63 41.8 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.779 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.442 ' N ' ' CD ' ' A' ' 7' ' ' LYS . . . -73.63 -35.64 55.02 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.43 -33.64 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 0.0 110.536 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.63 -52.03 62.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.615 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -57.48 -32.83 67.37 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.131 0.491 . . . . 0.0 110.322 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -64.04 -42.27 97.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.637 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.09 -47.41 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.521 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.64 -40.64 97.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.619 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.77 -47.1 42.04 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.597 ' NE2' ' NZ ' ' A' ' 20' ' ' LYS . 4.3 t60 -67.23 -41.51 85.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.493 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.8 tp -52.22 -42.16 63.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.31 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.04 85.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.371 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.01 -57.48 10.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.34 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.597 ' NZ ' ' NE2' ' A' ' 16' ' ' HIS . 18.3 mmtt -53.13 -44.28 67.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.918 0.39 . . . . 0.0 110.386 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.5 t -61.74 -39.05 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 35.7 mtp -68.76 -46.56 68.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.617 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -41.94 -57.78 2.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.519 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 120.095 -1.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.3 p -60.94 -34.27 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.747 0.308 . . . . 0.0 110.608 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 4' ' ' ASP . 7.4 p -58.5 -38.04 68.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.611 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.482 ' O ' ' CD ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -69.31 -30.22 68.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.607 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 60.0 mt -76.67 -31.47 19.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.704 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.697 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -56.98 -33.44 67.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.568 -178.855 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.482 ' CD ' ' O ' ' A' ' 4' ' ' ASP . 2.0 ptmm? -72.0 -29.19 63.96 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.24 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.445 ' N ' ' HG2' ' A' ' 7' ' ' LYS . . . -61.72 -53.62 42.06 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.51 -46.14 91.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 110.541 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.93 93.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.7 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -54.32 -32.4 56.52 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.431 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -63.25 -42.54 99.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.487 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.5 mt -58.92 -33.82 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.598 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.65 -42.77 89.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.615 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.86 -42.82 98.32 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.769 ' CD2' ' HZ1' ' A' ' 20' ' ' LYS . 4.4 t60 -71.93 -44.32 63.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.729 0.3 . . . . 0.0 110.532 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 tt -52.01 -42.03 62.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.375 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.68 -36.07 81.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.262 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.37 -51.68 66.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.419 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.769 ' HZ1' ' CD2' ' A' ' 16' ' ' HIS . 18.2 mmtt -52.73 -45.39 66.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.306 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.6 -38.77 82.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.449 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 60.4 mtt -68.02 -46.72 70.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.731 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -39.9 -66.41 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.753 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 120.025 -1.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.9 m -51.46 -36.08 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.561 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.437 ' HA ' HD23 ' A' ' 6' ' ' LEU . 15.4 t -63.31 -42.14 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.689 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -69.22 -30.56 68.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.682 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 92.8 mt -77.25 -31.84 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.635 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.743 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -55.16 -24.93 29.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.858 0.361 . . . . 0.0 110.636 -179.391 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.432 ' CD ' ' N ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -78.53 -29.48 46.49 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.847 179.552 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.432 ' N ' ' CD ' ' A' ' 7' ' ' LYS . . . -60.6 -32.91 79.93 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.39 -52.94 61.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.707 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.62 -41.8 67.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.595 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -62.19 -34.06 75.73 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.447 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -68.58 -45.58 71.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.712 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.6 mt -56.33 -46.09 81.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.509 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.94 -28.63 66.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.06 -44.73 11.27 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.675 ' CD2' ' HZ1' ' A' ' 20' ' ' LYS . 2.7 t60 -70.78 -46.11 63.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.77 0.319 . . . . 0.0 110.485 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.1 tp -51.83 -41.37 61.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.085 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.03 -31.66 72.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.137 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.92 -51.33 70.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.525 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.675 ' HZ1' ' CD2' ' A' ' 16' ' ' HIS . 18.3 mmtt -49.68 -38.01 31.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.504 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.3 t -68.37 -34.58 66.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.512 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 7.9 mtt -71.66 -37.74 70.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.889 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.514 ' N ' HD22 ' A' ' 23' ' ' ASN . 0.9 OUTLIER -39.74 -27.56 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.704 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . 0.422 ' N ' ' O ' ' A' ' 22' ' ' MET . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.106 -1.621 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p -51.04 -35.35 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.769 0.318 . . . . 0.0 110.53 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.09 -46.21 92.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.636 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -47.35 -30.28 3.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.601 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.9 mt -82.03 -52.63 13.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.313 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.782 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -66.67 -18.66 65.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.6 -179.103 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.456 ' C ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -78.58 -29.39 46.13 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.393 -0.523 . . . . 0.0 109.806 179.755 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.445 ' N ' ' CD ' ' A' ' 7' ' ' LYS . . . -69.79 -58.37 6.38 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.28 -36.84 83.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 110.579 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.91 -40.7 94.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.74 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -57.34 -33.26 67.57 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.009 0.433 . . . . 0.0 110.521 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -64.89 -46.29 82.37 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.431 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.4 mt -61.03 -50.41 80.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.493 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.64 -35.9 73.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.496 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.19 -40.76 70.95 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.755 ' CD2' ' HZ1' ' A' ' 20' ' ' LYS . 2.7 t60 -72.56 -45.0 61.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.334 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 tp -52.14 -36.48 51.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.27 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.81 -33.67 74.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.172 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.514 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -57.48 -49.14 77.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.397 179.845 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.755 ' HZ1' ' CD2' ' A' ' 16' ' ' HIS . 14.2 mmtt -53.71 -46.57 70.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.866 0.365 . . . . 0.0 110.357 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.6 t -65.42 -39.33 84.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.357 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.4 mtp -68.73 -40.52 79.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.65 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 19' ' ' SER . 41.2 m-80 -48.35 -25.07 1.43 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.464 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 120.036 -1.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.412 HG22 ' H ' ' A' ' 2' ' ' VAL . 10.7 m -58.83 -35.02 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.752 0.311 . . . . 0.0 110.566 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 4' ' ' ASP . 7.3 p -60.37 -42.59 91.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.536 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.499 ' N ' HG13 ' A' ' 3' ' ' VAL . 27.5 t0 -47.66 -30.69 3.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.69 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.0 mt -80.13 -55.35 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.338 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.743 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -62.42 -30.53 71.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.427 -179.05 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.438 ' C ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -78.96 -29.43 43.92 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.809 179.805 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.419 ' N ' ' CD ' ' A' ' 7' ' ' LYS . . . -61.0 -48.22 87.38 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.22 -40.3 78.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.542 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.03 -37.07 83.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.778 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -52.65 -32.0 39.85 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.032 0.444 . . . . 0.0 110.493 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -67.92 -53.13 28.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.495 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.6 mt -61.83 -36.27 72.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.72 -45.29 89.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.542 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.24 -19.39 66.21 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.467 ' C ' ' HZ2' ' A' ' 20' ' ' LYS . 1.7 t60 -70.84 -39.5 72.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.911 0.386 . . . . 0.0 110.436 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 tp -52.24 -36.41 52.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.574 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.86 -32.26 67.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.594 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.509 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -56.49 -54.63 43.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.414 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.477 ' H ' ' HG2' ' A' ' 20' ' ' LYS . 1.9 mmtp -51.16 -41.85 60.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.388 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.8 t -65.09 -48.23 84.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.666 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.3 mtt -64.79 -41.88 95.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.758 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 19' ' ' SER . 1.0 OUTLIER -42.74 -65.01 0.52 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.516 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 120.043 -1.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_