data_1ry3_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 1ry3 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.866 0.365 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 30.8 t -95.44 -23.82 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.694 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.55 -32.25 28.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -77.1 -40.91 44.17 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.05 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.73 -21.37 59.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.961 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.59 -36.83 84.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.029 0.442 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 29.8 t -72.62 -48.62 45.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -60.35 -39.19 86.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.696 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -65.97 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' -7' ' ' MET . . . . . 0.424 ' HG3' ' N ' ' A' ' -6' ' ' LYS . 7.6 ptm -51.04 -31.64 19.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.032 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' -6' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' -7' ' ' MET . 1.6 tttt -54.12 -65.16 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -85.42 17.73 3.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.711 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' -4' ' ' LEU . . . . . 0.408 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.3 OUTLIER . . . . . 0 C--N 1.321 -0.645 0 CA-C-O 121.31 0.576 . . . . 0.0 110.572 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.1 mt -59.22 -33.79 51.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.71 0.291 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -55.59 -56.08 24.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.653 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 t -62.18 -32.87 73.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.462 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -64.85 -41.32 95.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.748 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.512 ' O ' ' N ' ' A' ' 38' ' ' ALA . 51.5 t -54.7 -74.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.702 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 12.1 p -48.54 -54.74 13.25 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.577 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.17 -43.9 0.35 Allowed Glycine 0 C--N 1.32 -0.338 0 C-N-CA 119.299 -1.429 . . . . 0.0 109.625 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.4 t -91.29 -71.58 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 CA-C-N 114.581 -0.809 . . . . 0.0 111.83 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.42 -75.15 0.34 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -177.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.702 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 114.184 -1.371 . . . . 0.0 114.173 -176.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 49.3 p . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.877 0.37 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 20.9 t -95.44 -26.0 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.494 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.29 -36.65 39.38 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.72 -39.02 64.61 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.738 178.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 6.3 mt -66.85 -27.88 67.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.601 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.29 -27.2 59.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.946 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 21.8 t -74.42 -34.21 35.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.127 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -60.39 -30.45 69.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -59.74 -68.58 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.131 0.491 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -55.24 -30.68 60.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.937 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -61.89 2.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.766 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -85.31 17.3 3.16 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.901 0.381 . . . . 0.0 111.325 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.323 -0.577 0 CA-C-O 121.336 0.589 . . . . 0.0 110.184 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.391 -0.284 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.8 mt -60.0 -27.78 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 110.98 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -55.43 -66.39 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.829 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.43 -31.77 64.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.488 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.12 -59.19 5.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.266 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 38' ' ' ALA . 64.5 t -54.66 -74.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.708 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.696 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -48.75 -52.86 21.5 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.92 -43.53 0.43 Allowed Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 178.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.0 t -91.43 -72.56 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-N 114.457 -0.871 . . . . 0.0 111.906 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.41 -75.24 0.33 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -177.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.696 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 1.7 t . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 114.0 -1.454 . . . . 0.0 114.309 -176.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 17.2 t . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.879 0.371 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 19.0 t -95.5 -24.55 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.561 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.7 -30.44 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 178.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -77.57 -41.18 39.78 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.049 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.82 -24.02 60.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.934 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -36.37 57.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.079 0.466 . . . . 0.0 110.963 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.39 -30.23 25.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -64.04 -40.64 96.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.17 -44.1 95.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.101 0.476 . . . . 0.0 111.025 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' -7' ' ' MET . . . . . 0.428 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 6.6 ptm -73.75 -30.11 62.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.998 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.78 -58.98 5.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.356 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -85.03 16.69 3.29 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.932 0.396 . . . . 0.0 111.498 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' -4' ' ' LEU . . . . . 0.428 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.4 OUTLIER . . . . . 0 C--N 1.322 -0.611 0 CA-C-O 121.456 0.646 . . . . 0.0 109.896 178.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.5 mt -63.27 -29.97 48.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 111.044 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.46 -56.43 21.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.777 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.3 t -61.18 -32.87 72.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.622 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -63.45 -54.32 38.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.784 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.56 ' O ' ' N ' ' A' ' 38' ' ' ALA . 48.1 t -54.78 -73.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.993 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.693 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 48.1 t -48.21 -55.98 9.09 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.558 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.31 -44.29 0.4 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 119.273 -1.441 . . . . 0.0 109.758 178.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.6 t -91.47 -70.54 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 CA-C-N 114.628 -0.786 . . . . 0.0 112.102 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.47 -75.1 0.34 Allowed 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -177.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.693 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 114.101 -1.409 . . . . 0.0 113.986 -176.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.88 0.371 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 16.2 t -95.76 -23.14 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.73 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -84.66 -35.31 22.71 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -79.03 -35.74 42.2 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.913 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 3.2 tp -76.8 -23.67 52.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.785 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -74.22 -24.67 59.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.032 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 18.4 t -74.38 -47.54 39.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.405 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -37.16 45.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.161 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.55 -74.3 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.971 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 15.5 ptm -55.42 -24.34 29.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.118 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.12 -57.26 11.79 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.821 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -85.34 16.86 3.4 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.914 0.388 . . . . 0.0 111.215 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 23.4 tp . . . . . 0 C--N 1.323 -0.56 0 CA-C-O 121.365 0.602 . . . . 0.0 109.963 178.634 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 112.285 -0.326 . . . . 0.0 112.285 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.3 mt -59.83 -30.57 45.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.738 0.304 . . . . 0.0 110.82 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -56.76 -52.25 65.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.543 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.6 t -60.7 -33.27 72.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.193 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -56.03 23.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.28 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 38' ' ' ALA . 24.1 t -54.78 -70.62 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.624 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.694 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 18.8 p -48.72 -53.64 18.08 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.575 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.55 -44.63 0.45 Allowed Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 178.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.9 t -91.41 -70.88 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 114.51 -0.845 . . . . 0.0 111.961 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.31 -75.26 0.33 Allowed 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -177.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.694 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 114.208 -1.36 . . . . 0.0 114.21 -176.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.881 0.372 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.75 -23.35 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.47 -36.73 23.93 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -77.36 -36.17 53.92 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.681 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 36.2 tp -72.85 -26.12 61.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.618 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.42 -26.25 66.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.961 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 25.9 t -72.63 -50.19 35.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -59.37 -39.25 82.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.76 -70.69 0.17 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.783 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -52.2 -28.78 19.62 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.04 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -53.95 -65.85 0.5 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -85.42 17.78 3.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.613 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.321 -0.666 0 CA-C-O 121.36 0.6 . . . . 0.0 110.618 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.6 mm -60.88 -39.46 82.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.855 0.36 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.27 -46.71 87.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.759 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -33.44 72.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.773 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -63.49 -48.65 76.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.965 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 38' ' ' ALA . 41.7 t -54.68 -74.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.018 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.71 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 30.2 t -48.42 -56.26 8.67 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.55 -44.27 0.29 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 119.349 -1.405 . . . . 0.0 109.714 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' SER . 47.8 t -91.35 -71.09 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 CA-C-N 114.619 -0.79 . . . . 0.0 112.106 177.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.34 -74.82 0.35 Allowed 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -177.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.71 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 114.169 -1.378 . . . . 0.0 114.027 -176.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 44.3 m . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 28.3 t -95.54 -23.42 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.698 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -35.75 31.85 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.42 -39.49 58.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.816 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.55 -25.75 64.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.708 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -34.09 74.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.028 0.442 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.54 -55.2 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -30.37 66.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.931 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.38 -80.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.049 0.452 . . . . 0.0 111.051 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -24.92 30.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.195 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -53.91 -67.21 0.28 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.956 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -85.32 17.9 2.9 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.553 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--N 1.321 -0.652 0 CA-C-O 121.326 0.584 . . . . 0.0 110.757 179.621 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.561 -0.216 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.5 mt -57.96 -30.08 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.784 0.326 . . . . 0.0 111.058 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -50.4 -64.96 0.65 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.987 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 m -57.88 -32.81 68.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.434 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -35.14 79.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.449 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 38' ' ' ALA . 48.8 t -54.7 -71.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.742 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.699 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -48.81 -52.56 23.33 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -179.089 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.57 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.84 -44.12 0.46 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 178.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.4 t -91.46 -72.18 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.912 0 CA-C-N 114.502 -0.849 . . . . 0.0 111.942 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.43 -75.36 0.33 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -177.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.699 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 1.7 t . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 114.037 -1.438 . . . . 0.0 114.287 -176.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.928 0.395 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.77 -23.31 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.765 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -85.72 -33.87 21.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -80.59 -33.93 35.63 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.946 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 4.1 tp -79.35 -23.84 43.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.807 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.16 -32.56 70.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 25.9 t -74.52 -49.76 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -42.25 75.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.005 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -72.66 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.224 0.535 . . . . 0.0 110.931 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 1.9 ptm -54.66 -24.35 21.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.9 -67.74 0.24 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -85.34 17.89 2.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.623 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.321 -0.669 0 CA-C-O 121.263 0.554 . . . . 0.0 110.624 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.427 ' HA ' ' HB3' ' A' ' 33' ' ' PHE . 44.9 mt -59.67 -34.34 54.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 111.088 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -52.86 -66.59 0.36 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.775 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 m -58.48 -30.72 67.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.371 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.427 ' HB3' ' HA ' ' A' ' 30' ' ' ILE . 2.1 t80 -65.58 -44.63 86.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.429 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' ALA . 50.5 t -54.74 -74.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.7 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -48.63 -53.75 17.34 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -178.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.559 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.83 -43.81 0.44 Allowed Glycine 0 C--N 1.318 -0.425 0 C-N-CA 119.19 -1.481 . . . . 0.0 109.537 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.1 t -91.47 -71.97 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.914 0 CA-C-N 114.57 -0.815 . . . . 0.0 111.949 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.34 -75.43 0.32 Allowed 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -177.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.7 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 114.055 -1.429 . . . . 0.0 114.226 -176.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.96 0.41 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.62 -22.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.715 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -86.95 -31.6 20.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -81.8 -34.65 30.17 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.064 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 6.9 tt -80.25 -24.47 40.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.167 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -87.2 -30.65 20.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.967 0.413 . . . . 0.0 111.068 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 12.0 p -74.5 -41.32 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.922 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -57.92 -39.97 79.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.94 -70.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.106 0.479 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 9.7 ptm -52.89 -37.91 61.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.91 -59.23 5.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.766 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -85.31 16.73 3.47 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.932 0.396 . . . . 0.0 111.293 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 121.317 0.58 . . . . 0.0 109.957 178.628 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.2 mt -56.73 -27.1 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.72 0.295 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.91 -66.54 0.37 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 m -57.41 -33.1 67.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.523 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.34 -44.37 91.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.542 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' A' ' 38' ' ' ALA . 48.1 t -54.56 -73.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.698 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -48.67 -55.97 9.82 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.576 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.49 -44.04 0.27 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 119.361 -1.399 . . . . 0.0 109.683 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' SER . 51.8 t -91.13 -71.57 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.932 0 CA-C-N 114.612 -0.794 . . . . 0.0 111.895 177.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.52 -74.83 0.35 Allowed 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 114.652 1.352 . . . . 0.0 114.652 -177.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.698 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 114.075 -1.42 . . . . 0.0 114.148 -176.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 40.6 t -95.69 -25.18 4.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.642 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.23 -33.6 24.07 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.83 -36.9 41.85 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.879 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 8.4 tt -75.84 -24.26 55.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.712 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.07 -25.24 61.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.988 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 21.5 t -72.02 -45.45 63.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -61.23 -28.47 69.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -60.08 -45.77 91.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.099 0.476 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' -7' ' ' MET . . . . . 0.424 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 2.6 ptm -76.31 -28.16 56.84 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' -6' ' ' LYS . . . . . 0.402 ' N ' ' HG3' ' A' ' -7' ' ' MET . 0.5 OUTLIER -54.19 -53.78 48.76 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.148 -179.832 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -85.06 16.51 3.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.961 0.41 . . . . 0.0 111.328 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' -4' ' ' LEU . . . . . 0.424 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.536 0 CA-C-O 121.515 0.674 . . . . 0.0 109.895 178.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.352 -0.299 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.7 mt -61.44 -35.08 64.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.857 0.36 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -56.27 -60.83 2.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 p -60.51 -33.93 73.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.106 0.479 . . . . 0.0 110.168 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.36 -55.65 31.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.26 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.592 ' O ' ' N ' ' A' ' 38' ' ' ALA . 47.3 t -54.72 -71.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.755 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.692 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 10.2 t -48.11 -57.14 6.25 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.561 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.9 -45.14 0.38 Allowed Glycine 0 C--N 1.319 -0.416 0 C-N-CA 119.266 -1.445 . . . . 0.0 109.823 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -91.42 -69.11 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 CA-C-N 114.704 -0.748 . . . . 0.0 112.229 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.592 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.53 -74.96 0.35 Allowed 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -177.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.692 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 114.154 -1.385 . . . . 0.0 114.072 -176.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' -16' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' -12' ' ' LEU . 57.7 m . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.87 0.367 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.1 t -95.53 -22.9 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.654 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.2 -32.12 33.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -76.53 -42.51 42.83 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.851 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' -12' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' -16' ' ' SER . 1.0 OUTLIER -70.55 -24.66 62.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.625 179.315 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -72.08 -29.62 64.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 30.2 t -74.5 -43.33 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.019 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -59.05 -33.41 70.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.81 -68.21 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.084 0.469 . . . . 0.0 110.95 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 3.9 ptm -60.18 -26.91 66.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -64.91 0.67 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.23 17.73 2.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 111.625 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.32 -0.7 0 CA-C-O 121.325 0.583 . . . . 0.0 110.638 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.649 -0.18 . . . . 0.0 112.649 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.6 mt -59.28 -29.68 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.733 0.302 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -55.09 -56.17 22.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.926 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -34.12 74.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.58 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -64.44 -40.01 94.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.816 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.581 ' O ' ' N ' ' A' ' 38' ' ' ALA . 56.0 t -54.68 -73.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.686 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 18.7 t -48.11 -56.97 6.52 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -178.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.577 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.91 -44.76 0.37 Allowed Glycine 0 C--N 1.319 -0.383 0 C-N-CA 119.221 -1.466 . . . . 0.0 109.859 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.4 t -91.51 -69.7 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-N 114.643 -0.779 . . . . 0.0 112.197 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.4 -74.9 0.35 Allowed 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -177.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.686 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 114.151 -1.386 . . . . 0.0 114.017 -176.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.159 0 CA-C-O 121.003 0.43 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 26.1 t -95.59 -25.1 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.56 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.55 -30.27 23.51 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -79.44 -38.67 34.1 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.094 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -76.02 -25.67 55.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.839 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -72.18 -31.73 66.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.014 0.435 . . . . 0.0 110.888 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.46 -42.34 49.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -26.91 43.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.246 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -55.84 -77.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.051 0.453 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -61.03 -35.28 76.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.933 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -54.04 -52.93 59.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -85.14 16.28 3.64 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.972 0.415 . . . . 0.0 111.29 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 22.4 tp . . . . . 0 C--N 1.323 -0.58 0 CA-C-O 121.489 0.662 . . . . 0.0 109.776 178.502 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.183 -0.367 . . . . 0.0 112.183 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.0 mt -62.72 -29.43 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.61 -66.17 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.778 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 t -55.95 -32.18 63.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.098 0.475 . . . . 0.0 110.403 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.435 ' CD2' HG22 ' A' ' 34' ' ' VAL . 1.7 t80 -63.92 -60.04 3.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.259 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.591 ' O ' ' N ' ' A' ' 38' ' ' ALA . 36.8 t -54.58 -68.77 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.231 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.725 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.713 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 48.3 t -48.29 -56.04 9.05 Favored 'General case' 0 CA--C 1.506 -0.738 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.87 -45.57 0.4 Allowed Glycine 0 C--N 1.319 -0.395 0 C-N-CA 119.24 -1.457 . . . . 0.0 109.675 178.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.3 t -91.5 -69.26 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 114.665 -0.767 . . . . 0.0 112.298 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.591 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.28 -74.83 0.35 Allowed 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -177.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.713 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 114.147 -1.388 . . . . 0.0 114.005 -176.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.916 0.389 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.1 t -95.46 -23.73 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.627 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -31.79 24.31 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -79.77 -35.11 39.17 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.202 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 5.2 tt -81.16 -20.97 40.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.372 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -87.91 -28.75 21.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.886 0.374 . . . . 0.0 111.45 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 14.4 p -68.74 -28.93 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -45.47 67.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.59 -56.11 26.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.024 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 1.7 ptm -59.62 -31.19 69.27 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -54.02 -61.74 2.11 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.14 17.35 3.03 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.913 0.387 . . . . 0.0 111.658 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.322 -0.619 0 CA-C-O 121.368 0.604 . . . . 0.0 110.457 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.309 -0.316 . . . . 0.0 112.309 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.6 mp -64.8 -31.81 55.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.752 0.311 . . . . 0.0 110.975 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -53.32 -66.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.07 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.9 -30.66 67.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -67.46 -47.26 70.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.727 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 38' ' ' ALA . 60.3 t -54.68 -73.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.703 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -48.78 -52.89 21.46 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.565 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.75 -43.81 0.43 Allowed Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 178.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.0 t -91.48 -72.35 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 CA-C-N 114.503 -0.848 . . . . 0.0 111.855 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.37 -75.03 0.34 Allowed 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -177.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.703 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 1.8 t . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 114.154 -1.385 . . . . 0.0 114.347 -176.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 59.4 p . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.944 0.402 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 18.6 t -95.69 -25.65 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.63 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -83.28 -34.02 25.85 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.71 -36.7 43.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.819 178.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -73.26 -25.43 60.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.694 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.47 -24.73 63.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.959 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.06 -46.86 44.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -37.86 70.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -50.75 -74.1 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -23.79 67.37 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -52.63 -32.43 41.8 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -66.99 -135.96 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.132 -1.395 . . . . 0.0 108.024 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 9.9 tt . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.661 -0.175 . . . . 0.0 112.661 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.5 mt -57.71 -32.78 43.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.689 0.28 . . . . 0.0 111.148 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -50.45 -63.5 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -60.81 -32.44 71.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -66.9 -39.18 87.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.987 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' A' ' 38' ' ' ALA . 60.0 t -54.73 -75.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.016 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.701 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 9.1 p -48.58 -54.57 13.99 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.572 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.31 -44.04 0.38 Allowed Glycine 0 C--N 1.319 -0.406 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 178.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.2 t -91.29 -71.53 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-N 114.583 -0.809 . . . . 0.0 111.93 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.34 -74.89 0.35 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -177.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.701 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 114.188 -1.369 . . . . 0.0 114.248 -176.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.887 0.375 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.56 -24.05 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.586 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -81.55 -32.29 32.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.79 -40.83 46.83 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.909 178.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.29 -25.11 63.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.687 179.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -33.93 75.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.077 0.465 . . . . 0.0 110.801 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 24.1 t -74.61 -29.62 23.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.144 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -56.44 -28.24 58.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.161 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -73.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.108 0.48 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -32.22 58.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -62.79 1.42 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -85.4 17.82 2.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.561 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 5.8 tp . . . . . 0 C--N 1.322 -0.597 0 CA-C-O 121.274 0.559 . . . . 0.0 110.542 179.469 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.644 -0.182 . . . . 0.0 112.644 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.1 mt -58.0 -25.55 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.722 0.296 . . . . 0.0 111.22 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -52.39 -66.32 0.4 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.106 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 p -60.29 -32.51 71.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.713 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -64.72 -46.71 81.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.619 ' O ' ' N ' ' A' ' 38' ' ' ALA . 59.3 t -58.16 -75.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.665 ' HA ' ' N ' ' A' ' 39' ' ' SER . 0.7 OUTLIER -47.84 -33.3 7.17 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.532 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.69 -49.37 47.28 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 108.291 -1.923 . . . . 0.0 108.291 177.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.0 t -91.96 -60.59 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-N 114.182 -1.009 . . . . 0.0 113.142 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.619 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -82.9 -73.45 0.4 Allowed 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 -175.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.665 ' N ' ' HA ' ' A' ' 35' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.584 0 CA-C-N 114.231 -1.35 . . . . 0.0 114.0 -174.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.234 0.238 0 CA-C-O 120.846 0.355 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.71 -23.32 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.744 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -82.81 -32.85 27.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -78.57 -38.22 40.73 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.766 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 13.3 mt -71.94 -25.28 61.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.698 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -26.73 65.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.979 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 27.8 t -74.35 -66.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.187 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.84 -27.8 5.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.298 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -78.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.103 0.477 . . . . 0.0 110.941 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 2.0 ptm -56.38 -33.16 65.46 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -53.84 -62.47 1.63 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.829 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.35 17.78 2.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.874 0.369 . . . . 0.0 111.361 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 10.2 tt . . . . . 0 C--N 1.322 -0.616 0 CA-C-O 121.312 0.577 . . . . 0.0 110.631 179.374 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.544 -0.223 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.9 mm -60.22 -39.14 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.758 0.313 . . . . 0.0 111.067 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -52.85 -63.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.0 m -61.11 -31.21 70.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.603 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -66.35 -47.94 71.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.602 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 38' ' ' ALA . 46.6 t -54.6 -72.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.707 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 12.2 p -48.63 -54.2 15.6 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.574 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.41 -44.62 0.43 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 119.275 -1.44 . . . . 0.0 109.515 178.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.7 t -91.35 -70.96 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 CA-C-N 114.552 -0.824 . . . . 0.0 111.976 177.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.29 -75.04 0.34 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -177.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.707 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 114.203 -1.362 . . . . 0.0 114.079 -176.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.6 t -95.56 -22.03 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.688 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -32.33 26.58 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.99 -39.9 40.87 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.878 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 8.3 mp -72.08 -25.19 61.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.688 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -71.86 -25.45 61.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.976 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.28 -44.25 49.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.095 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -29.86 60.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.035 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -78.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.987 0.422 . . . . 0.0 110.831 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.6 -28.23 13.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.146 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -53.85 -67.85 0.23 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -85.35 17.71 3.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 0.0 111.687 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.321 -0.635 0 CA-C-O 121.328 0.585 . . . . 0.0 110.524 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.1 mt -59.39 -29.91 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.721 0.296 . . . . 0.0 111.048 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -55.53 -57.22 12.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.82 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 m -61.29 -32.65 72.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.577 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -64.97 -47.95 75.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.818 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 38' ' ' ALA . 38.9 t -54.63 -73.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.038 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.697 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 16.4 p -48.68 -54.14 15.97 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.573 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.42 -44.22 0.41 Allowed Glycine 0 C--N 1.319 -0.369 0 C-N-CA 119.282 -1.437 . . . . 0.0 109.528 178.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.3 t -91.35 -71.41 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-N 114.508 -0.846 . . . . 0.0 111.86 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.48 -74.9 0.35 Allowed 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -177.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.697 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 114.176 -1.375 . . . . 0.0 114.317 -176.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.872 0.367 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 30.7 t -95.54 -22.61 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.638 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -31.73 24.1 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.48 -35.57 34.6 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.977 178.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 31.5 mt -77.85 -23.56 48.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.857 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -77.33 -37.74 51.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.046 0.451 . . . . 0.0 111.058 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 10.7 p -74.44 -43.39 49.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -66.38 -28.3 68.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' -8' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' -4' ' ' LEU . 1.7 tt0 -56.98 -42.53 80.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 64.8 mtm -56.65 -43.03 79.93 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.749 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -53.89 -55.31 27.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.335 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -85.47 17.31 3.25 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.3 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' -4' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' -8' ' ' GLU . 8.0 tt . . . . . 0 C--N 1.323 -0.553 0 CA-C-O 121.426 0.631 . . . . 0.0 110.428 179.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.8 mm -63.23 -28.28 44.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.689 0.28 . . . . 0.0 111.098 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.33 -62.43 1.66 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.068 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.5 m -59.95 -34.8 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -63.92 -50.47 68.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.555 ' O ' ' N ' ' A' ' 38' ' ' ALA . 44.6 t -54.66 -74.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.699 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 9.5 p -48.62 -54.74 13.46 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.576 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.29 -44.43 0.4 Allowed Glycine 0 C--N 1.32 -0.332 0 C-N-CA 119.209 -1.472 . . . . 0.0 109.568 178.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.0 t -91.43 -70.99 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.895 0 CA-C-N 114.57 -0.815 . . . . 0.0 112.01 177.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.38 -74.62 0.36 Allowed 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 -177.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.699 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 114.212 -1.358 . . . . 0.0 114.193 -176.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.3 t -95.64 -22.15 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -84.11 -35.0 24.01 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.33 -35.33 41.21 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.761 178.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 21.2 tp -75.45 -24.43 57.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.888 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -74.82 -37.47 62.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.145 0.497 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.44 -24.96 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.268 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -28.98 24.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.193 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -60.26 -40.57 90.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.09 0.471 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -77.78 -39.28 44.54 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.15 -53.28 55.51 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.012 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -85.11 16.63 3.39 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.989 0.423 . . . . 0.0 111.191 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.545 0 CA-C-O 121.534 0.683 . . . . 0.0 109.741 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.311 -0.316 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.7 mt -62.57 -29.72 47.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.786 0.327 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -53.82 -65.39 0.58 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 m -57.42 -31.42 65.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.974 0.416 . . . . 0.0 110.432 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -65.39 -48.18 73.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.433 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.603 ' O ' ' N ' ' A' ' 38' ' ' ALA . 35.1 t -54.7 -69.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.664 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 21.2 t -48.29 -48.71 35.64 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -178.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.53 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -39.48 -46.3 2.73 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 118.949 -1.596 . . . . 0.0 109.149 178.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.9 t -91.86 -67.53 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 114.507 -0.847 . . . . 0.0 112.683 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.603 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.41 -74.98 0.34 Allowed 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -176.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.664 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 114.169 -1.378 . . . . 0.0 114.098 -176.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.857 0.36 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 26.7 t -95.73 -25.33 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.599 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.21 -33.81 24.05 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -79.58 -34.75 40.57 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.87 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 58.4 tp -76.42 -24.59 53.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.948 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -79.32 -40.3 30.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.129 0.49 . . . . 0.0 111.063 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 9.9 p -74.43 -26.98 20.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.316 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -24.13 61.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.84 -78.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.05 0.452 . . . . 0.0 111.202 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 4.8 ptp -51.55 -35.38 40.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.201 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -60.83 2.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.33 17.01 3.3 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.969 0.414 . . . . 0.0 111.378 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.553 0 CA-C-O 121.346 0.593 . . . . 0.0 110.286 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.424 ' HA ' ' HB3' ' A' ' 33' ' ' PHE . 21.1 mt -60.48 -32.23 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.847 0.356 . . . . 0.0 110.916 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -65.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.678 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.44 -31.78 70.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.364 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.424 ' HB3' ' HA ' ' A' ' 30' ' ' ILE . 1.7 t80 -62.42 -44.64 95.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.279 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.632 ' O ' ' N ' ' A' ' 38' ' ' ALA . 63.7 t -59.92 -75.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.753 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.651 ' HA ' ' N ' ' A' ' 39' ' ' SER . 10.9 p -47.45 -26.73 1.44 Allowed 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.21 -50.11 71.29 Favored Glycine 0 N--CA 1.441 -1.014 0 N-CA-C 108.128 -1.989 . . . . 0.0 108.128 176.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.8 t -91.53 -56.27 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 114.273 -0.963 . . . . 0.0 112.908 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.632 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -82.8 -74.35 0.36 Allowed 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -176.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.651 ' N ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 114.265 -1.334 . . . . 0.0 113.838 -175.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 28.9 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.949 0.404 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 26.3 t -95.54 -25.62 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.506 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.16 -30.33 25.93 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.94 -39.31 34.95 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.096 178.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 4.8 tt -73.26 -26.32 61.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.837 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -67.63 -32.79 73.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.999 0.428 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 29.9 t -74.54 -33.93 33.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.145 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -55.18 -24.45 26.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.288 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -56.21 -68.33 0.22 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.089 0.471 . . . . 0.0 111.091 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 6.7 ptm -68.98 -32.57 72.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.01 -58.88 5.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.858 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -85.24 17.34 3.1 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 111.417 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 6.5 tp . . . . . 0 C--N 1.322 -0.622 0 CA-C-O 121.429 0.633 . . . . 0.0 110.346 179.192 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.741 -0.144 . . . . 0.0 112.741 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.2 mm -53.87 -40.41 44.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.747 0.308 . . . . 0.0 111.27 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -54.65 -38.9 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.026 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 m -72.52 -45.95 56.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.072 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -44.47 97.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' A' ' 38' ' ' ALA . 44.7 t -54.66 -73.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.998 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.69 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 19.8 p -48.6 -53.69 17.46 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -178.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.89 -44.23 0.47 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 119.121 -1.514 . . . . 0.0 109.569 178.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 50.7 t -91.4 -71.33 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 114.534 -0.833 . . . . 0.0 111.974 177.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.33 -74.99 0.34 Allowed 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -177.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.69 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 114.185 -1.371 . . . . 0.0 114.172 -176.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 2.7 ttt . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.808 0.337 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -88.69 53.85 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.07 154.25 20.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 30.8 t -95.44 -23.82 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.694 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.55 -32.25 28.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -77.1 -40.91 44.17 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.05 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.73 -21.37 59.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.961 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.59 -36.83 84.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.029 0.442 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 29.8 t -72.62 -48.62 45.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -60.35 -39.19 86.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.696 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -65.97 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -7' ' ' MET . . . . . 0.424 ' HG3' ' N ' ' A' ' -6' ' ' LYS . 7.6 ptm -51.04 -31.64 19.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.032 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -6' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' -7' ' ' MET . 1.6 tttt -54.12 -65.16 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -85.42 17.73 3.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.711 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' LEU . . . . . 0.408 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.3 OUTLIER -89.51 -54.52 4.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.31 0.576 . . . . 0.0 110.572 179.501 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -20.63 63.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.027 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 117.37 -142.52 17.38 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -167.85 156.76 28.64 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.5 m -113.08 163.0 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 111.134 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -140.09 78.1 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 63.22 68.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.791 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.7 53.52 3.02 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.573 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -92.14 -18.31 23.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.678 0.275 . . . . 0.0 111.227 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.13 54.73 1.83 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.59 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.1 t -83.99 162.26 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.7 m -133.54 178.65 6.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.096 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.4 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . 1.8 m -78.93 117.04 19.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.763 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.503 ' C ' ' H ' ' A' ' 12' ' ' THR . 4.0 p -160.93 111.33 1.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.952 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.28 -14.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.503 ' H ' ' C ' ' A' ' 10' ' ' SER . 0.9 OUTLIER -152.01 164.34 37.41 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 120.687 0.28 . . . . 0.0 110.375 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.408 ' N ' ' CG2' ' A' ' 12' ' ' THR . 0.0 OUTLIER -53.25 147.71 9.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.982 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.4 ' HB3' ' CA ' ' A' ' 9' ' ' CYS . 0.9 OUTLIER -104.14 50.29 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.783 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -131.78 147.74 52.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.832 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.9 t -119.44 155.4 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -106.72 62.29 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.625 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.403 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -77.19 9.85 2.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.154 -179.719 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.58 -66.39 0.49 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.063 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.405 ' C ' ' H ' ' A' ' 22' ' ' PHE . 0.5 OUTLIER -54.93 -65.06 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 179.624 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.419 ' HA ' ' HB2' ' A' ' 24' ' ' GLU . . . -65.12 -3.0 3.22 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.357 0.599 . . . . 0.0 112.101 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.405 ' H ' ' C ' ' A' ' 20' ' ' GLN . 2.7 t80 -72.05 -40.25 68.48 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 177.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -75.45 -22.01 57.66 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.317 -1.31 . . . . 0.0 109.237 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 15.2 mt-10 -65.91 -53.1 43.82 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.699 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.0 mtt85 -61.99 -28.68 69.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.09 -35.31 79.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.755 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.9 m -78.46 -47.21 17.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.75 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.49 -31.07 72.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.994 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.17 -55.91 9.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.468 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.1 mt -59.22 -33.79 51.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.71 0.291 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -55.59 -56.08 24.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.653 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 t -62.18 -32.87 73.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.462 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -64.85 -41.32 95.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.748 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.512 ' O ' ' N ' ' A' ' 38' ' ' ALA . 51.5 t -54.7 -74.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.702 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 12.1 p -48.54 -54.74 13.25 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.577 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.17 -43.9 0.35 Allowed Glycine 0 C--N 1.32 -0.338 0 C-N-CA 119.299 -1.429 . . . . 0.0 109.625 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.4 t -91.29 -71.58 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 CA-C-N 114.581 -0.809 . . . . 0.0 111.83 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.42 -75.15 0.34 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -177.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.702 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -62.73 5.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.184 -1.371 . . . . 0.0 114.173 -176.478 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -120.13 -50.95 0.28 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.613 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 53.78 38.82 29.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 111.122 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.23 32.05 1.9 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.596 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.8 p -101.51 -22.18 14.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.661 0.267 . . . . 0.0 111.181 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER 43.12 45.87 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.722 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.23 29.65 7.84 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.1 ptt85 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.411 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.862 0.363 . . . . 0.0 111.252 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -88.1 84.24 6.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 49.3 p -83.5 133.31 34.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 20.9 t -95.44 -26.0 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.494 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.29 -36.65 39.38 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.72 -39.02 64.61 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.738 178.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 6.3 mt -66.85 -27.88 67.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.601 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.29 -27.2 59.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.946 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 21.8 t -74.42 -34.21 35.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.127 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -60.39 -30.45 69.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -59.74 -68.58 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.131 0.491 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -55.24 -30.68 60.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.937 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -61.89 2.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.766 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -85.31 17.3 3.16 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.901 0.381 . . . . 0.0 111.325 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.81 -45.44 9.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.336 0.589 . . . . 0.0 110.184 179.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -110.51 27.35 9.73 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -58.41 122.08 28.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.544 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 162.52 84.58 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.8 p -102.24 127.53 55.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.781 0.324 . . . . 0.0 111.073 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -161.92 37.59 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -177.9 39.68 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.675 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.76 47.86 0.38 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.538 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.08 -20.84 13.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.75 0.31 . . . . 0.0 111.163 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.23 57.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.531 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.8 t -74.25 162.27 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.792 0.329 . . . . 0.0 111.007 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 t 51.99 -179.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.223 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.404 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -76.05 126.93 31.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.513 ' C ' ' H ' ' A' ' 12' ' ' THR . 4.1 p -168.57 108.67 0.5 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.706 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tptm 62.96 -8.5 0.12 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.364 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.513 ' H ' ' C ' ' A' ' 10' ' ' SER . 0.9 OUTLIER -152.38 164.48 37.41 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.728 0.299 . . . . 0.0 110.376 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 141.28 55.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.654 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.404 ' HB3' ' CA ' ' A' ' 9' ' ' CYS . 1.2 p -98.16 50.94 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.977 0.417 . . . . 0.0 110.792 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.4 p -131.79 90.54 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.835 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.8 p -58.6 159.55 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.255 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -137.51 77.5 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.672 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.401 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 1.2 m95 -77.07 4.39 10.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.969 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.451 ' O ' ' HB3' ' A' ' 22' ' ' PHE . . . -114.93 -60.72 0.37 Allowed Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.927 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -56.53 -64.59 0.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.821 -0.223 . . . . 0.0 110.495 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' HA ' ' HB2' ' A' ' 24' ' ' GLU . . . -65.19 -3.98 4.53 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 120.395 -0.522 . . . . 0.0 112.256 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.451 ' HB3' ' O ' ' A' ' 19' ' ' GLY . 34.2 t80 -70.85 -42.19 70.45 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -73.2 -22.74 60.39 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.166 177.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.422 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 72.9 mm-40 -70.7 -48.53 54.24 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.984 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -55.07 -28.59 53.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.163 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.41 -48.8 74.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.414 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.6 m -78.14 -40.16 38.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.68 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.83 -35.83 77.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.073 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.04 -56.84 12.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.391 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.8 mt -60.0 -27.78 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 110.98 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -55.43 -66.39 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.829 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.43 -31.77 64.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.488 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.12 -59.19 5.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.266 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 38' ' ' ALA . 64.5 t -54.66 -74.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.708 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.696 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -48.75 -52.86 21.5 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.92 -43.53 0.43 Allowed Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 178.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.0 t -91.43 -72.56 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-N 114.457 -0.871 . . . . 0.0 111.906 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.41 -75.24 0.33 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -177.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.696 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 1.7 t -62.78 6.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.0 -1.454 . . . . 0.0 114.309 -176.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -140.34 -67.69 0.04 OUTLIER Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.516 -0.85 . . . . 0.0 112.513 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 56.48 54.95 6.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 111.207 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.91 72.9 1.28 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.598 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.17 58.79 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.729 0.3 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.453 ' O ' HG13 ' A' ' 44' ' ' ILE . 5.7 tp 44.24 39.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.151 0.5 . . . . 0.0 111.492 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.62 -125.53 5.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.889 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 8.1 mmt . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.853 0.358 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -88.75 54.9 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 17.2 t -75.19 134.34 41.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.074 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 19.0 t -95.5 -24.55 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.561 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.7 -30.44 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 178.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -77.57 -41.18 39.78 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.049 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.82 -24.02 60.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.934 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -36.37 57.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.079 0.466 . . . . 0.0 110.963 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.39 -30.23 25.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -64.04 -40.64 96.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.17 -44.1 95.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.101 0.476 . . . . 0.0 111.025 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -7' ' ' MET . . . . . 0.428 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 6.6 ptm -73.75 -30.11 62.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.998 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.78 -58.98 5.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.356 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -85.03 16.69 3.29 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.932 0.396 . . . . 0.0 111.498 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' LEU . . . . . 0.428 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.4 OUTLIER -90.43 -71.99 0.59 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.456 0.646 . . . . 0.0 109.896 178.499 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 4.4 t60 45.37 31.0 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.135 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -148.68 -174.23 20.15 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.432 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . 0.418 ' O ' ' CG2' ' A' ' 1' ' ' VAL . . . -108.74 161.93 13.07 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.366 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' -1' ' ' GLY . 21.1 m 44.97 -169.41 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 120.748 0.308 . . . . 0.0 111.611 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -131.72 73.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.939 0.399 . . . . 0.0 110.697 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 64.95 40.37 5.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.779 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.83 -47.29 1.06 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.462 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 63.84 5.64 2.39 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 58.33 42.44 95.58 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.58 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 8' ' ' SER . 1.0 OUTLIER -101.57 -160.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.758 0.313 . . . . 0.0 110.855 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.467 ' N ' ' CG1' ' A' ' 7' ' ' VAL . 2.0 m -152.65 130.73 11.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.8 m -119.57 114.95 23.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.929 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.8 m -156.72 116.49 3.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 tttm 62.89 3.59 1.25 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.152 -0.477 . . . . 0.0 112.204 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.43 ' CG2' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -152.06 165.77 33.69 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.357 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.43 ' N ' ' CG2' ' A' ' 12' ' ' THR . 0.1 OUTLIER -52.06 178.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.73 0.3 . . . . 0.0 110.642 179.681 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.7 m -94.88 33.5 1.48 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.819 0.342 . . . . 0.0 111.038 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.7 t -161.92 78.09 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.69 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.3 p -53.47 142.23 6.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.326 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 21' ' ' ALA . 53.3 p30 179.71 39.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.821 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -77.01 -38.72 52.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.517 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.402 ' O ' ' CB ' ' A' ' 22' ' ' PHE . . . -102.23 -49.86 1.19 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.165 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -54.83 -61.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' A' ' 17' ' ' ASN . . . -65.52 -4.81 6.47 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.344 0.592 . . . . 0.0 112.166 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 5.3 t80 -70.26 -40.7 74.24 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 177.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -21.93 54.32 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.255 177.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 6.3 mm-40 -67.07 -52.2 44.96 Favored 'General case' 0 C--N 1.338 0.103 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.933 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -55.54 -28.68 56.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.239 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -69.94 -45.52 67.29 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.61 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.7 m -78.15 -34.78 49.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.814 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.76 -33.61 76.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.985 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.72 -54.01 6.9 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.448 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.5 mt -63.27 -29.97 48.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 111.044 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.46 -56.43 21.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.777 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.3 t -61.18 -32.87 72.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.622 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -63.45 -54.32 38.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.784 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.56 ' O ' ' N ' ' A' ' 38' ' ' ALA . 48.1 t -54.78 -73.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.993 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.693 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 48.1 t -48.21 -55.98 9.09 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.558 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.31 -44.29 0.4 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 119.273 -1.441 . . . . 0.0 109.758 178.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.6 t -91.47 -70.54 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 CA-C-N 114.628 -0.786 . . . . 0.0 112.102 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.47 -75.1 0.34 Allowed 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -177.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.693 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -63.91 9.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.101 -1.409 . . . . 0.0 113.986 -176.575 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -144.09 -66.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.544 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 56.43 30.53 17.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.785 0.326 . . . . 0.0 111.188 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.23 57.9 16.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.574 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 p -74.96 -26.32 59.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.373 . . . . 0.0 111.012 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 tp -163.84 51.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.161 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 123.18 -77.78 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.486 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.89 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 120.939 0.4 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -88.75 80.63 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 2.5 p -89.11 141.72 28.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.979 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 16.2 t -95.76 -23.14 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.73 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -84.66 -35.31 22.71 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -79.03 -35.74 42.2 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.913 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 3.2 tp -76.8 -23.67 52.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.785 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -74.22 -24.67 59.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.032 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 18.4 t -74.38 -47.54 39.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.405 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -37.16 45.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.161 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.55 -74.3 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.971 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 15.5 ptm -55.42 -24.34 29.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.118 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.12 -57.26 11.79 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.821 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -85.34 16.86 3.4 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.914 0.388 . . . . 0.0 111.215 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 23.4 tp -90.17 -71.84 0.6 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.365 0.602 . . . . 0.0 109.963 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 45.42 30.89 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.145 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 132.22 -169.19 22.28 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.562 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -88.52 106.05 3.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.512 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.2 p -143.35 143.94 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.811 0.339 . . . . 0.0 111.094 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -152.39 59.08 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 60.26 79.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.38 -102.33 1.87 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -104.5 -20.93 13.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.765 0.317 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.411 ' O ' HG11 ' A' ' 7' ' ' VAL . . . 145.63 45.25 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.574 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 8' ' ' SER . 0.5 OUTLIER 41.09 -161.63 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-O 120.833 0.349 . . . . 0.0 111.749 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.484 ' N ' ' CG1' ' A' ' 7' ' ' VAL . 4.9 m -139.66 119.26 13.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.447 ' HB3' ' HA ' ' A' ' 14' ' ' CYS . 1.2 p -48.64 173.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.422 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 p -166.82 111.08 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.586 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 60.32 6.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.008 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -151.97 165.48 34.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.456 -179.817 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.415 ' N ' ' CG2' ' A' ' 12' ' ' THR . 0.1 OUTLIER -53.26 153.34 3.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.84 0.352 . . . . 0.0 111.086 179.863 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -99.96 37.24 1.67 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.792 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.64 149.01 40.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.184 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.6 p -94.75 160.1 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.971 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -179.37 98.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.778 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.411 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 1.3 t90 -73.47 -2.65 23.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.809 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' A' ' 22' ' ' PHE . . . -114.87 -51.7 0.44 Allowed Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.853 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -59.14 -66.55 0.49 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.415 ' HA ' ' HB2' ' A' ' 24' ' ' GLU . . . -65.29 -3.09 3.6 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.486 ' HB3' ' O ' ' A' ' 19' ' ' GLY . 80.8 t80 -72.68 -41.45 65.32 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 177.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.63 -22.5 59.98 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.358 -1.292 . . . . 0.0 109.097 177.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.415 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 7.5 mm-40 -67.77 -35.85 79.44 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.822 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.8 mtm-85 -54.24 -28.2 39.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.168 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -64.55 -49.09 72.6 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.342 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.2 m -69.62 -39.41 77.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.603 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.46 -33.36 75.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.951 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.78 -50.17 55.04 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.285 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.3 mt -59.83 -30.57 45.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.738 0.304 . . . . 0.0 110.82 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -56.76 -52.25 65.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.543 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.6 t -60.7 -33.27 72.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.193 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -56.03 23.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.28 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 38' ' ' ALA . 24.1 t -54.78 -70.62 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.624 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.694 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 18.8 p -48.72 -53.64 18.08 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.575 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.55 -44.63 0.45 Allowed Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 178.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.9 t -91.41 -70.88 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 114.51 -0.845 . . . . 0.0 111.961 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.31 -75.26 0.33 Allowed 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -177.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.694 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -63.2 6.76 0.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.208 -1.36 . . . . 0.0 114.21 -176.515 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -116.04 37.9 3.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.541 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.13 -82.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.945 0.402 . . . . 0.0 111.186 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.24 -38.56 3.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.488 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.35 45.61 1.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.758 0.313 . . . . 0.0 110.848 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER 43.33 45.32 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.614 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.89 -92.62 1.25 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.856 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 120.85 0.357 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -89.64 94.05 9.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.73 106.17 18.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.787 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.75 -23.35 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.47 -36.73 23.93 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -77.36 -36.17 53.92 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.681 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 36.2 tp -72.85 -26.12 61.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.618 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.42 -26.25 66.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.961 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 25.9 t -72.63 -50.19 35.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -59.37 -39.25 82.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.76 -70.69 0.17 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.783 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -52.2 -28.78 19.62 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.04 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -53.95 -65.85 0.5 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -85.42 17.78 3.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.613 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.49 -53.11 4.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.36 0.6 . . . . 0.0 110.618 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -66.04 -21.96 66.41 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.169 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -78.68 113.67 3.74 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.475 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 85.29 43.75 6.49 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.6 m -58.43 100.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.381 . . . . 0.0 111.224 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -159.74 38.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -176.69 38.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.22 -96.02 1.96 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.437 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.72 -87.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.694 0.283 . . . . 0.0 111.15 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.62 64.08 4.53 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.619 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.9 t -92.3 161.59 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 111.143 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.82 160.4 31.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.802 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.8 t -127.88 164.42 22.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.642 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m 63.18 19.03 11.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.262 0.553 . . . . 0.0 110.82 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -160.09 -35.44 0.06 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.803 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -150.51 167.23 27.79 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.871 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.44 ' N ' ' CG2' ' A' ' 12' ' ' THR . 0.0 OUTLIER -30.25 121.87 0.18 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.866 0.365 . . . . 0.0 111.984 -179.558 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.6 m -90.88 39.54 0.99 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.164 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.21 154.16 51.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.8 p -93.7 49.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.205 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 70.96 98.5 0.07 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -7.83 49.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.472 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.413 ' O ' ' CB ' ' A' ' 22' ' ' PHE . . . -52.93 -52.14 41.23 Favored Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.084 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -54.62 -55.69 26.83 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 24' ' ' GLU . . . -65.54 -5.97 9.55 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.376 0.608 . . . . 0.0 112.313 178.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.413 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 12.5 t80 -71.94 -41.55 67.69 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 177.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.78 -22.99 58.45 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.54 -1.209 . . . . 0.0 108.914 177.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 3.4 mm-40 -60.37 -42.91 96.78 Favored 'General case' 0 C--N 1.339 0.152 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.162 179.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -69.75 -30.73 68.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.8 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -64.8 -43.08 94.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.606 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.1 m -60.46 -37.73 81.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.718 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.82 85.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.45 -39.2 94.02 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.6 mm -60.88 -39.46 82.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.855 0.36 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.27 -46.71 87.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.759 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -33.44 72.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.773 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -63.49 -48.65 76.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.965 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' A' ' 38' ' ' ALA . 41.7 t -54.68 -74.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.018 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.71 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 30.2 t -48.42 -56.26 8.67 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.55 -44.27 0.29 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 119.349 -1.405 . . . . 0.0 109.714 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' SER . 47.8 t -91.35 -71.09 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 CA-C-N 114.619 -0.79 . . . . 0.0 112.106 177.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.34 -74.82 0.35 Allowed 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -177.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.71 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -65.27 12.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.169 -1.378 . . . . 0.0 114.027 -176.564 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -119.87 40.01 2.32 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.443 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.46 -83.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.89 0.376 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.4 -96.66 0.1 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.629 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.37 -38.66 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.961 0.41 . . . . 0.0 111.162 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.4 mp 52.25 74.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.238 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.36 61.39 0.66 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.898 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 1.4 mtt . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.857 0.361 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -88.83 66.54 8.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 44.3 m -74.76 127.57 33.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 28.3 t -95.54 -23.42 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.698 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -35.75 31.85 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.42 -39.49 58.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.816 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.55 -25.75 64.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.708 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -34.09 74.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.028 0.442 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.54 -55.2 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -30.37 66.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.931 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.38 -80.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.049 0.452 . . . . 0.0 111.051 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -24.92 30.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.195 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -53.91 -67.21 0.28 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.956 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -85.32 17.9 2.9 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.553 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 2.5 tt -89.3 -64.37 1.15 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.326 0.584 . . . . 0.0 110.757 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -70.33 -21.6 62.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.198 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -143.1 122.37 1.89 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.547 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -100.23 30.49 10.05 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.552 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.1 t -118.99 107.35 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.317 . . . . 0.0 111.073 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -136.16 66.94 1.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 60.01 40.19 19.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.25 21.3 7.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.664 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -112.69 -20.12 11.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.783 0.325 . . . . 0.0 111.209 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.407 ' O ' HG12 ' A' ' 7' ' ' VAL . . . 146.3 53.49 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.38 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 8' ' ' SER . 0.5 OUTLIER 41.25 -162.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-O 120.876 0.369 . . . . 0.0 111.786 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.475 ' N ' ' CG1' ' A' ' 7' ' ' VAL . 24.3 m -143.44 148.27 35.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.809 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.0 m -63.71 119.95 10.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.016 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 p -178.87 113.79 0.06 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.574 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.49 11.65 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.794 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -149.8 -7.55 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 14' ' ' CYS . 0.6 OUTLIER 54.5 25.67 6.43 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 121.32 0.581 . . . . 0.0 111.542 179.458 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 87.3 m 67.84 96.4 0.06 Allowed 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.95 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.6 p -142.38 144.08 32.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.805 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.9 p -96.17 41.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.019 0.438 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m120 65.18 51.14 1.69 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.711 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.9 t90 -61.69 -22.14 65.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.148 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.63 -49.7 0.78 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.121 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -54.81 -63.6 1.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.401 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . . . -65.26 -3.82 4.49 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.292 0.568 . . . . 0.0 112.106 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -72.18 -39.61 68.53 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 177.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -77.64 -21.65 51.91 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.357 -1.292 . . . . 0.0 109.207 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.401 ' CG ' ' HA ' ' A' ' 21' ' ' ALA . 36.2 mt-10 -64.87 -42.9 94.45 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.694 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -66.16 -31.68 72.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.119 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -65.67 -47.32 75.88 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.594 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.1 m -61.72 -33.42 74.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.738 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.73 -38.53 91.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.064 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.0 -48.06 21.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.561 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.5 mt -57.96 -30.08 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.784 0.326 . . . . 0.0 111.058 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -50.4 -64.96 0.65 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.987 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 m -57.88 -32.81 68.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.434 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -35.14 79.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.449 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 38' ' ' ALA . 48.8 t -54.7 -71.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.742 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.699 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -48.81 -52.56 23.33 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -179.089 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.57 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.84 -44.12 0.46 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 178.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.4 t -91.46 -72.18 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.912 0 CA-C-N 114.502 -0.849 . . . . 0.0 111.942 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.43 -75.36 0.33 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -177.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.699 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 1.7 t -62.98 7.31 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.037 -1.438 . . . . 0.0 114.287 -176.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -121.93 -35.3 0.78 Allowed Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.559 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -168.07 54.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 111.084 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.67 59.1 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 m -103.67 60.05 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mp 46.9 68.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.295 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.26 -29.71 2.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.93 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 2.2 mpp? . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.844 0.354 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -88.93 57.58 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.68 103.54 16.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.77 -23.31 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.765 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -85.72 -33.87 21.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -80.59 -33.93 35.63 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.946 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 4.1 tp -79.35 -23.84 43.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.807 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.16 -32.56 70.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 25.9 t -74.52 -49.76 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -42.25 75.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.005 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -72.66 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.224 0.535 . . . . 0.0 110.931 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 1.9 ptm -54.66 -24.35 21.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.9 -67.74 0.24 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -85.34 17.89 2.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.623 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.31 -63.33 1.31 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.263 0.554 . . . . 0.0 110.624 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -65.82 -19.34 65.85 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -56.72 116.37 7.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.512 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 73.49 161.3 6.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 31.5 m -80.14 -179.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.734 0.302 . . . . 0.0 111.079 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -131.74 49.72 2.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.423 ' HA ' ' CZ3' ' A' ' 18' ' ' TRP . 5.2 m-85 60.77 79.06 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.958 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.38 -107.78 0.98 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.527 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -119.74 -22.04 7.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.661 0.267 . . . . 0.0 111.401 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 59.39 49.68 75.92 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.1 t -92.55 -164.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.495 -0.187 . . . . 0.0 110.495 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t 54.82 173.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.802 0.334 . . . . 0.0 111.274 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.5 m -107.87 114.62 28.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.5 p -160.51 112.31 1.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.831 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt 61.65 1.81 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.26 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.3 t -151.79 -179.92 7.87 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.777 0.323 . . . . 0.0 111.132 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 170.55 9.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.709 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.8 m -98.41 30.92 3.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.879 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.1 t -155.89 38.89 0.37 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.717 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 p -68.4 158.86 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -97.14 38.54 1.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.423 ' CZ3' ' HA ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -69.54 -20.22 63.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.996 179.874 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.01 -47.33 0.96 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.925 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -54.7 -62.79 1.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.535 ' HA ' ' HB3' ' A' ' 24' ' ' GLU . . . -65.07 -6.96 10.12 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.464 0.649 . . . . 0.0 112.101 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -67.91 -38.59 83.14 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 177.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -80.64 -25.81 38.11 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 114.266 -1.334 . . . . 0.0 109.647 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.535 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . 1.0 OUTLIER -69.87 -46.3 65.81 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.931 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -65.12 -31.11 72.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.722 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -67.75 -44.07 78.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.567 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.4 m -66.19 -37.08 84.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.698 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.28 80.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.019 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.94 -54.5 6.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.531 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.427 ' HA ' ' HB3' ' A' ' 33' ' ' PHE . 44.9 mt -59.67 -34.34 54.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 111.088 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -52.86 -66.59 0.36 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.775 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 m -58.48 -30.72 67.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.371 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.427 ' HB3' ' HA ' ' A' ' 30' ' ' ILE . 2.1 t80 -65.58 -44.63 86.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.429 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' ALA . 50.5 t -54.74 -74.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.7 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -48.63 -53.75 17.34 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -178.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.559 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.83 -43.81 0.44 Allowed Glycine 0 C--N 1.318 -0.425 0 C-N-CA 119.19 -1.481 . . . . 0.0 109.537 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.1 t -91.47 -71.97 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.914 0 CA-C-N 114.57 -0.815 . . . . 0.0 111.949 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.34 -75.43 0.32 Allowed 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -177.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.7 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -63.43 9.2 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.055 -1.429 . . . . 0.0 114.226 -176.551 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -151.38 57.19 0.44 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.463 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.51 70.07 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 111.213 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.76 92.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.612 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.4 t -76.37 -65.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.171 0.51 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.3 mm -107.65 40.61 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.78 -94.6 0.73 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.949 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 2.0 mmm . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.794 0.33 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -90.36 45.57 1.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.221 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 1.9 m -92.83 121.97 34.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.96 0.41 . . . . 0.0 110.997 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.62 -22.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.715 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -86.95 -31.6 20.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -81.8 -34.65 30.17 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.064 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 6.9 tt -80.25 -24.47 40.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.167 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -87.2 -30.65 20.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.967 0.413 . . . . 0.0 111.068 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 12.0 p -74.5 -41.32 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.922 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -57.92 -39.97 79.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.94 -70.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.106 0.479 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 9.7 ptm -52.89 -37.91 61.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.91 -59.23 5.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.766 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -85.31 16.73 3.47 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.932 0.396 . . . . 0.0 111.293 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 1.6 tp -90.19 -72.99 0.54 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.317 0.58 . . . . 0.0 109.957 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 45.75 31.36 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.086 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 115.48 -111.8 2.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.487 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -108.4 162.67 12.94 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.446 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.7 m -82.28 120.09 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 111.067 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -161.73 39.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -178.22 39.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.27 55.44 0.72 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.621 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -80.91 -34.01 33.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.074 0.464 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.1 41.91 96.84 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.484 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.0 t -108.9 162.13 6.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.851 0.357 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.08 158.2 20.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.024 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -92.01 132.97 36.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.968 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 p -162.61 110.02 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.068 0.461 . . . . 0.0 111.046 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt 59.65 2.78 0.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.446 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.3 t -151.67 -169.61 3.42 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 111.208 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -73.78 -177.03 2.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.06 38.02 2.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.63 137.92 21.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.245 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.4 p 28.18 100.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -88.75 55.28 3.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.488 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.37 -23.04 8.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.509 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 22' ' ' PHE . . . -101.26 -50.25 1.24 Allowed Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.155 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -54.57 -61.11 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.501 ' HA ' ' HB3' ' A' ' 24' ' ' GLU . . . -65.16 -6.28 8.84 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.258 0.551 . . . . 0.0 112.064 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 2.5 t80 -68.34 -39.81 81.79 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 177.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -26.34 51.84 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.21 -1.359 . . . . 0.0 109.203 177.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.501 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . 1.4 pt-20 -77.46 -32.43 54.45 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.908 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.506 ' HG3' ' N ' ' A' ' 26' ' ' TYR . 6.2 ptm180 -72.71 -35.06 67.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.187 0.517 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.506 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -65.54 -32.43 74.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.878 -179.831 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.0 m -76.54 -36.61 57.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.12 79.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.56 -58.73 8.75 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.54 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.415 HD12 ' CD2' ' A' ' 26' ' ' TYR . 55.2 mt -56.73 -27.1 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.72 0.295 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.91 -66.54 0.37 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 m -57.41 -33.1 67.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.523 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.34 -44.37 91.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.542 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' A' ' 38' ' ' ALA . 48.1 t -54.56 -73.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.698 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -48.67 -55.97 9.82 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.576 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.49 -44.04 0.27 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 119.361 -1.399 . . . . 0.0 109.683 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' SER . 51.8 t -91.13 -71.57 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.932 0 CA-C-N 114.612 -0.794 . . . . 0.0 111.895 177.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.52 -74.83 0.35 Allowed 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 114.652 1.352 . . . . 0.0 114.652 -177.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.698 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -62.55 3.19 0.22 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.075 -1.42 . . . . 0.0 114.148 -176.359 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -104.12 -27.27 6.29 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.394 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -168.55 -81.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.94 0.4 . . . . 0.0 111.185 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.23 79.26 0.71 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.584 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.57 31.44 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.917 0.389 . . . . 0.0 110.888 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 26.9 mm -121.09 40.41 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.81 -101.71 0.91 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.466 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.933 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.86 0.362 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -88.65 110.76 21.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.37 68.69 9.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.039 0.447 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 40.6 t -95.69 -25.18 4.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.642 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.23 -33.6 24.07 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.83 -36.9 41.85 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.879 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 8.4 tt -75.84 -24.26 55.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.712 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.07 -25.24 61.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.988 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 21.5 t -72.02 -45.45 63.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -61.23 -28.47 69.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -60.08 -45.77 91.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.099 0.476 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -7' ' ' MET . . . . . 0.424 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 2.6 ptm -76.31 -28.16 56.84 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' -6' ' ' LYS . . . . . 0.402 ' N ' ' HG3' ' A' ' -7' ' ' MET . 0.5 OUTLIER -54.19 -53.78 48.76 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.148 -179.832 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -85.06 16.51 3.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.961 0.41 . . . . 0.0 111.328 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' A' ' -3' ' ' HIS . 0.1 OUTLIER -90.48 -67.54 0.84 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.515 0.674 . . . . 0.0 109.895 178.397 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . 0.428 ' CG ' ' O ' ' A' ' -4' ' ' LEU . 30.7 p80 46.06 32.96 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.189 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -98.66 92.78 1.25 Allowed Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -83.6 98.35 2.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.593 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.4 m -154.01 94.86 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.751 0.31 . . . . 0.0 111.106 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -134.51 74.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 60.45 78.55 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.72 39.51 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -71.17 -20.23 62.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.736 0.303 . . . . 0.0 111.2 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.95 80.97 0.9 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 8' ' ' SER . 1.0 OUTLIER -59.56 -161.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 0.0 111.012 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.456 ' N ' ' CG1' ' A' ' 7' ' ' VAL . 2.3 m -67.75 -165.05 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 50.88 -153.04 0.17 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.053 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 75.81 18.73 2.07 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.116 0.484 . . . . 0.0 111.249 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.96 -40.46 0.14 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.648 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.8 t -151.01 -154.31 0.54 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.972 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.65 148.97 18.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.628 0.251 . . . . 0.0 110.602 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.1 m -90.79 20.85 4.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.25 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 p -161.84 72.97 0.4 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.865 0.364 . . . . 0.0 110.719 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.33 131.81 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.24 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -176.57 95.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.64 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.6 m-90 -61.1 -18.49 58.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.495 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.48 -52.67 0.66 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.194 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.71 -63.67 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.472 ' HA ' ' HB2' ' A' ' 24' ' ' GLU . . . -65.06 -6.49 8.97 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.266 0.555 . . . . 0.0 112.115 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -67.9 -40.28 83.47 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 177.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -77.63 -24.51 49.5 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.187 -1.37 . . . . 0.0 109.186 177.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.472 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 9.3 mm-40 -76.58 -40.19 50.36 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.206 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -54.0 -30.3 46.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -67.66 -50.31 58.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.494 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.4 m -71.49 -33.38 69.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.572 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.13 -34.62 78.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.53 -49.53 30.55 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.352 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.7 mt -61.44 -35.08 64.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.857 0.36 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -56.27 -60.83 2.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 p -60.51 -33.93 73.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.106 0.479 . . . . 0.0 110.168 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.36 -55.65 31.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.26 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.592 ' O ' ' N ' ' A' ' 38' ' ' ALA . 47.3 t -54.72 -71.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.755 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.692 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 10.2 t -48.11 -57.14 6.25 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.561 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.9 -45.14 0.38 Allowed Glycine 0 C--N 1.319 -0.416 0 C-N-CA 119.266 -1.445 . . . . 0.0 109.823 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -91.42 -69.11 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 CA-C-N 114.704 -0.748 . . . . 0.0 112.229 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.592 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.53 -74.96 0.35 Allowed 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -177.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.692 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -62.55 4.76 0.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.154 -1.385 . . . . 0.0 114.072 -176.427 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -54.72 -38.69 64.77 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.62 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 56.6 35.33 25.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.782 0.325 . . . . 0.0 111.25 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.48 -47.35 2.58 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.504 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 t 49.48 55.82 8.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.838 0.351 . . . . 0.0 111.202 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.3 mp 46.41 71.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.409 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.94 -30.01 76.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.529 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.829 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.887 0.375 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -88.57 100.77 13.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -16' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' -12' ' ' LEU . 57.7 m -74.16 138.85 44.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.1 t -95.53 -22.9 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.654 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.2 -32.12 33.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -76.53 -42.51 42.83 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.851 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -12' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' -16' ' ' SER . 1.0 OUTLIER -70.55 -24.66 62.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.625 179.315 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -72.08 -29.62 64.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 30.2 t -74.5 -43.33 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.019 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -59.05 -33.41 70.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.81 -68.21 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.084 0.469 . . . . 0.0 110.95 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 3.9 ptm -60.18 -26.91 66.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -64.91 0.67 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.23 17.73 2.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 111.625 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.44 -61.1 1.77 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.325 0.583 . . . . 0.0 110.638 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -69.36 -22.07 63.76 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.142 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 99.01 -71.52 0.55 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 121.06 43.34 0.44 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.8 m -148.95 160.6 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 111.185 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.76 87.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.522 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.7 t80 61.15 -142.23 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.365 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.0 -8.38 70.47 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.048 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -156.51 -43.42 0.07 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.068 0.461 . . . . 0.0 111.073 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.406 ' O ' HG12 ' A' ' 7' ' ' VAL . . . 163.12 57.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.437 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.487 ' CG1' ' N ' ' A' ' 8' ' ' SER . 0.5 OUTLIER 41.1 -161.66 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-O 120.787 0.327 . . . . 0.0 111.785 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.487 ' N ' ' CG1' ' A' ' 7' ' ' VAL . 12.5 m -144.13 140.95 29.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.66 126.31 30.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.422 ' C ' ' H ' ' A' ' 12' ' ' THR . 48.7 m -154.46 111.63 3.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.053 0.454 . . . . 0.0 111.064 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 60.43 0.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.508 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.422 ' H ' ' C ' ' A' ' 10' ' ' SER . 0.9 OUTLIER -152.26 163.05 40.21 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.75 0.31 . . . . 0.0 110.6 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.11 169.51 0.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.559 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.5 m -87.81 53.27 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 110.92 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.2 p -161.9 168.61 22.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.0 t -78.32 160.86 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -87.26 53.64 2.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.85 -8.15 52.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.516 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.3 -49.95 0.55 Allowed Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -54.57 -65.14 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.53 ' HA ' ' HB3' ' A' ' 24' ' ' GLU . . . -64.97 -6.33 8.28 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.416 0.626 . . . . 0.0 112.103 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -69.78 -35.83 75.22 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -80.13 -21.62 42.99 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.565 177.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.53 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -66.86 -35.42 79.98 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.705 179.777 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.481 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 23.4 mtt180 -71.05 -30.32 66.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.138 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -48.42 70.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.704 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.9 m -65.98 -34.2 77.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.42 -31.58 72.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.17 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.42 -38.11 39.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.649 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.6 mt -59.28 -29.68 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.733 0.302 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -55.09 -56.17 22.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.926 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -34.12 74.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.58 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -64.44 -40.01 94.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.816 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.581 ' O ' ' N ' ' A' ' 38' ' ' ALA . 56.0 t -54.68 -73.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.686 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 18.7 t -48.11 -56.97 6.52 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -178.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.577 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.91 -44.76 0.37 Allowed Glycine 0 C--N 1.319 -0.383 0 C-N-CA 119.221 -1.466 . . . . 0.0 109.859 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.4 t -91.51 -69.7 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-N 114.643 -0.779 . . . . 0.0 112.197 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.4 -74.9 0.35 Allowed 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -177.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.686 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -62.66 3.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.151 -1.386 . . . . 0.0 114.017 -176.378 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -154.76 46.1 0.54 Allowed Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.528 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.0 -87.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.912 0.387 . . . . 0.0 111.198 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.02 54.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.44 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.1 p 49.09 27.54 1.77 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.769 0.318 . . . . 0.0 111.348 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -103.24 36.82 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-O 121.059 0.457 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -146.71 37.68 1.18 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.466 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.9 ppt_? . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.886 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 4.2 tmm? . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.799 0.333 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -88.77 56.19 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 1.2 m -91.46 72.38 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 26.1 t -95.59 -25.1 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.56 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.55 -30.27 23.51 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -79.44 -38.67 34.1 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.094 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -76.02 -25.67 55.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.839 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -72.18 -31.73 66.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.014 0.435 . . . . 0.0 110.888 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.46 -42.34 49.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -26.91 43.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.246 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -55.84 -77.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.051 0.453 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -61.03 -35.28 76.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.933 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -6' ' ' LYS . . . . . 0.408 ' O ' ' CD2' ' A' ' -3' ' ' HIS . 8.9 mtmt -54.04 -52.93 59.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -85.14 16.28 3.64 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.972 0.415 . . . . 0.0 111.29 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 22.4 tp -90.6 -49.34 6.54 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.489 0.662 . . . . 0.0 109.776 178.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . 0.408 ' CD2' ' O ' ' A' ' -6' ' ' LYS . 9.0 p80 -80.23 -16.98 53.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.357 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -50.4 -98.42 0.01 OUTLIER Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.972 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 175.59 -139.75 4.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.668 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 21.6 t -45.91 159.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.8 0.333 . . . . 0.0 111.574 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -132.37 75.43 1.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.712 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 63.99 71.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.3 31.02 0.19 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.433 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -93.58 -21.25 19.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 111.19 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 106.0 100.29 2.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.521 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.6 t -100.78 18.36 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 CA-C-O 121.758 0.79 . . . . 0.0 111.307 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.78 152.98 24.36 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.484 -1.235 . . . . 0.0 110.844 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.47 123.74 17.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.419 ' C ' ' H ' ' A' ' 12' ' ' THR . 3.1 m -152.17 110.46 3.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.81 1.4 0.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.402 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.419 ' H ' ' C ' ' A' ' 10' ' ' SER . 0.9 OUTLIER -152.25 163.96 38.36 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.634 0.254 . . . . 0.0 110.468 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' N ' ' CG2' ' A' ' 12' ' ' THR . 0.0 OUTLIER -57.76 175.5 0.19 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.432 179.535 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.3 m -96.22 25.53 4.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.711 0.291 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.2 p -131.71 108.39 9.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.1 t -68.45 163.59 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.06 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -85.39 55.26 3.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.049 0.452 . . . . 0.0 110.5 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.439 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 0.8 OUTLIER -66.71 -7.89 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.855 -179.707 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' A' ' 22' ' ' PHE . . . -106.83 -60.06 0.58 Allowed Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.299 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -62.48 1.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.728 -0.278 . . . . 0.0 110.398 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HA ' ' HB2' ' A' ' 24' ' ' GLU . . . -65.0 -3.25 3.31 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.22 0.533 . . . . 0.0 112.227 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.439 ' HB2' ' O ' ' A' ' 18' ' ' TRP . 12.2 t80 -71.05 -43.15 68.43 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 177.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -23.41 61.62 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.122 -1.399 . . . . 0.0 109.082 177.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.412 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 70.6 mt-10 -69.34 -53.99 16.81 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.908 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -56.67 -30.45 63.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.075 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -64.66 -51.01 64.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.579 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.6 m -73.39 -31.98 64.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.657 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.76 93.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.067 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.35 -52.92 35.9 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.183 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.0 mt -62.72 -29.43 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.61 -66.17 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.778 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 t -55.95 -32.18 63.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.098 0.475 . . . . 0.0 110.403 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.435 ' CD2' HG22 ' A' ' 34' ' ' VAL . 1.7 t80 -63.92 -60.04 3.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.259 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.591 ' O ' ' N ' ' A' ' 38' ' ' ALA . 36.8 t -54.58 -68.77 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.231 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.725 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.713 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 48.3 t -48.29 -56.04 9.05 Favored 'General case' 0 CA--C 1.506 -0.738 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.87 -45.57 0.4 Allowed Glycine 0 C--N 1.319 -0.395 0 C-N-CA 119.24 -1.457 . . . . 0.0 109.675 178.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.3 t -91.5 -69.26 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 114.665 -0.767 . . . . 0.0 112.298 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.591 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.28 -74.83 0.35 Allowed 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -177.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.713 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -65.1 12.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.147 -1.388 . . . . 0.0 114.005 -176.557 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -94.86 26.43 18.64 Favored Glycine 0 C--N 1.333 0.37 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.518 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -169.76 34.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.855 0.36 . . . . 0.0 111.047 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.98 -1.37 85.01 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.898 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.5 p -104.42 23.0 13.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.697 0.284 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 tp -106.19 38.92 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.034 0.445 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.62 -83.16 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.467 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.778 0.323 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -88.84 126.21 35.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 4.3 p -63.63 122.99 17.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.1 t -95.46 -23.73 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.627 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -31.79 24.31 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -79.77 -35.11 39.17 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.202 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 5.2 tt -81.16 -20.97 40.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.372 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -87.91 -28.75 21.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.886 0.374 . . . . 0.0 111.45 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 14.4 p -68.74 -28.93 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -45.47 67.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.59 -56.11 26.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.024 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 1.7 ptm -59.62 -31.19 69.27 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -54.02 -61.74 2.11 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.14 17.35 3.03 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.913 0.387 . . . . 0.0 111.658 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.58 -57.75 2.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.368 0.604 . . . . 0.0 110.457 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -85.89 5.3 33.54 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.522 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -57.38 -59.21 11.28 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.642 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 88.85 -164.57 32.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.441 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.0 m -107.75 133.9 51.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 111.175 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -152.46 63.71 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.79 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 58.81 40.22 23.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.4 -25.94 21.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.542 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.6 t30 63.98 6.06 2.66 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.408 ' O ' HG12 ' A' ' 7' ' ' VAL . . . -131.73 61.26 0.66 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.383 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 8' ' ' SER . 0.5 OUTLIER 41.08 -162.5 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-O 120.915 0.388 . . . . 0.0 111.828 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.479 ' N ' ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -107.75 -159.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.626 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.542 ' HB3' ' HA ' ' A' ' 14' ' ' CYS . 0.7 OUTLIER 36.22 108.69 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 179.563 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.3 m -129.96 111.53 12.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.843 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.49 6.98 1.62 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.487 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.432 ' CG2' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -151.81 166.47 31.3 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.416 -179.796 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.432 ' N ' ' CG2' ' A' ' 12' ' ' THR . 0.0 OUTLIER -47.24 170.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.807 0.337 . . . . 0.0 111.408 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.542 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -105.84 37.55 2.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.82 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.81 155.99 22.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.779 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.0 p -58.33 150.12 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.996 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -123.38 50.12 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.2 t90 -70.19 -31.54 69.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.054 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.75 -47.63 1.02 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.081 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -61.98 1.96 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' HA ' ' HB2' ' A' ' 24' ' ' GLU . . . -65.17 -6.71 9.95 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.3 0.572 . . . . 0.0 112.171 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -69.28 -39.62 78.25 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.2 -23.05 51.49 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.528 -1.215 . . . . 0.0 109.167 177.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.439 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 40.8 mt-10 -67.68 -28.26 67.54 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.052 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -36.37 53.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.145 0.498 . . . . 0.0 111.217 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.421 ' CZ ' HD11 ' A' ' 30' ' ' ILE . 66.2 t80 -64.17 -35.98 82.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.256 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.2 m -67.97 -47.64 68.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.773 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.11 -31.86 61.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.036 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.81 -58.07 8.87 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.309 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.421 HD11 ' CZ ' ' A' ' 26' ' ' TYR . 4.6 mp -64.8 -31.81 55.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.752 0.311 . . . . 0.0 110.975 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -53.32 -66.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.07 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.9 -30.66 67.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -67.46 -47.26 70.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.727 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 38' ' ' ALA . 60.3 t -54.68 -73.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.703 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -48.78 -52.89 21.46 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.565 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.75 -43.81 0.43 Allowed Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 178.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.0 t -91.48 -72.35 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 CA-C-N 114.503 -0.848 . . . . 0.0 111.855 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.37 -75.03 0.34 Allowed 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -177.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.703 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 1.8 t -63.2 7.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.154 -1.385 . . . . 0.0 114.347 -176.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -117.45 -81.13 0.8 Allowed Glycine 0 C--N 1.334 0.418 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.373 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.49 73.97 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.834 0.35 . . . . 0.0 111.103 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.07 -81.32 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.497 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.7 m -58.71 -80.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.037 0.446 . . . . 0.0 111.048 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.8 54.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.09 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -93.28 45.06 2.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.143 -0.932 . . . . 0.0 110.925 179.925 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.796 0.332 . . . . 0.0 111.249 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -88.75 87.69 7.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.796 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 59.4 p -86.28 119.29 26.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 18.6 t -95.69 -25.65 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.63 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -83.28 -34.02 25.85 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.71 -36.7 43.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.819 178.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -73.26 -25.43 60.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.694 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.47 -24.73 63.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.959 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.06 -46.86 44.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -37.86 70.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -50.75 -74.1 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -7' ' ' MET . . . . . 0.404 ' HB2' ' CD2' ' A' ' -3' ' ' HIS . 0.0 OUTLIER -64.67 -23.79 67.37 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.902 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -52.63 -32.43 41.8 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -66.99 -135.96 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.132 -1.395 . . . . 0.0 108.024 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.75 -10.74 1.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . 0.404 ' CD2' ' HB2' ' A' ' -7' ' ' MET . 20.8 t-80 65.76 58.93 0.76 Allowed 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 120.913 0.387 . . . . 0.0 110.748 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -134.88 -176.39 14.34 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 69.38 19.97 74.86 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.748 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.9 p 178.97 111.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.765 0.317 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -161.85 82.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.078 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 58.86 80.26 0.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.066 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.89 39.83 3.08 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.711 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.4 t30 62.83 4.72 1.54 Allowed 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 55.06 88.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.49 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 8' ' ' SER . 0.9 OUTLIER -58.8 -162.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.352 . . . . 0.0 110.977 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.453 ' N ' ' CG1' ' A' ' 7' ' ' VAL . 27.9 m -136.62 142.21 43.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.88 125.94 37.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 p -152.27 111.3 3.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.002 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm 60.54 2.19 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.492 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.1 t -151.75 -178.45 6.73 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.756 0.312 . . . . 0.0 111.298 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -67.29 178.67 1.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.746 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.2 m -98.89 53.39 0.99 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.961 0.41 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.9 t -152.58 171.2 18.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 29.2 t -96.44 41.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.025 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 61.25 69.96 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.415 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 3.2 m95 -77.23 12.07 1.63 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.191 -178.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.412 ' O ' ' HB3' ' A' ' 22' ' ' PHE . . . -116.36 -55.97 0.33 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.14 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.404 ' C ' ' H ' ' A' ' 22' ' ' PHE . 2.7 mt-30 -58.39 -68.91 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.866 -0.197 . . . . 0.0 110.736 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.413 ' HA ' ' HB2' ' A' ' 24' ' ' GLU . . . -65.06 -2.61 2.87 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 18' ' ' TRP . 15.4 t80 -73.15 -40.52 64.8 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 177.203 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.45 -21.4 58.15 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.175 177.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 31.0 mt-10 -67.58 -56.15 10.58 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.747 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.8 mmt-85 -58.94 -28.46 66.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.04 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -65.73 -48.56 71.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.763 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.9 m -67.55 -37.24 82.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.842 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.77 -27.29 66.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.282 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.75 -50.17 4.29 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.661 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.5 mt -57.71 -32.78 43.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.689 0.28 . . . . 0.0 111.148 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -50.45 -63.5 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -60.81 -32.44 71.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -66.9 -39.18 87.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.987 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' A' ' 38' ' ' ALA . 60.0 t -54.73 -75.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.016 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.701 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 9.1 p -48.58 -54.57 13.99 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.572 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.31 -44.04 0.38 Allowed Glycine 0 C--N 1.319 -0.406 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 178.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.2 t -91.29 -71.53 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-N 114.583 -0.809 . . . . 0.0 111.93 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.34 -74.89 0.35 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -177.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.701 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -62.55 4.37 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.188 -1.369 . . . . 0.0 114.248 -176.409 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -106.75 -54.28 0.69 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.552 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -171.94 -39.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.106 0.479 . . . . 0.0 111.216 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 55.96 23.89 40.28 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.696 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.1 m -110.19 -30.99 7.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.39 . . . . 0.0 111.059 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 tp -168.63 44.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.371 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.73 -126.41 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.449 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 3.7 mmt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.79 0.329 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -88.46 84.13 6.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.08 119.36 22.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.56 -24.05 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.586 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -81.55 -32.29 32.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.79 -40.83 46.83 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.909 178.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.29 -25.11 63.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.687 179.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -33.93 75.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.077 0.465 . . . . 0.0 110.801 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 24.1 t -74.61 -29.62 23.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.144 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -56.44 -28.24 58.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.161 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -73.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.108 0.48 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -32.22 58.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -62.79 1.42 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -85.4 17.82 2.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.561 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 5.8 tp -89.4 -60.07 2.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.274 0.559 . . . . 0.0 110.542 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.03 -21.55 66.39 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.142 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -145.87 124.93 2.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -169.49 36.39 0.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.0 112.33 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.773 0.32 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -133.68 45.06 2.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 61.87 47.79 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.15 -29.24 74.38 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.473 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -90.18 -69.27 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.193 0.521 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.93 102.82 0.91 Allowed Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.491 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.4 t -60.53 161.89 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.4 179.4 8.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.964 0.411 . . . . 0.0 111.181 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.41 ' HA ' ' HB3' ' A' ' 14' ' ' CYS . 3.2 m -58.46 114.28 2.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.835 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -162.36 114.09 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.63 10.32 2.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.965 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.467 ' O ' ' CG2' ' A' ' 12' ' ' THR . 0.9 OUTLIER -150.82 2.79 0.45 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.756 -179.427 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 53.2 27.23 5.77 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.26 0.552 . . . . 0.0 111.417 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 9' ' ' CYS . 10.4 p 40.74 42.27 1.37 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.527 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.0 m -150.48 163.45 38.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.004 0.431 . . . . 0.0 111.176 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.427 ' CG1' ' N ' ' A' ' 17' ' ' ASN . 0.7 OUTLIER -61.36 -164.11 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.87 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.427 ' N ' ' CG1' ' A' ' 16' ' ' VAL . 2.4 m120 -80.01 55.82 2.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.218 0.532 . . . . 0.0 110.541 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.402 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -74.51 5.6 4.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.001 -179.646 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -109.29 -57.4 0.53 Allowed Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.439 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.4 ' C ' ' H ' ' A' ' 22' ' ' PHE . 13.3 mm-40 -54.78 -66.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.92 -0.165 . . . . 0.0 110.694 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.73 -4.12 3.97 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 121.289 0.566 . . . . 0.0 111.975 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.402 ' HB2' ' O ' ' A' ' 18' ' ' TRP . 1.1 t80 -70.49 -39.81 73.94 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 176.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -73.91 -23.99 59.63 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.294 -1.321 . . . . 0.0 108.597 177.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -76.2 -47.73 22.99 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.765 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 26' ' ' TYR . 0.4 OUTLIER -61.63 -33.73 74.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.966 -179.864 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.431 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -63.79 -31.88 73.21 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.891 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.8 m -68.36 -42.9 78.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.6 94.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.207 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.69 -54.45 10.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.644 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.408 HD13 ' CD2' ' A' ' 26' ' ' TYR . 56.1 mt -58.0 -25.55 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.722 0.296 . . . . 0.0 111.22 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -52.39 -66.32 0.4 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.106 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 p -60.29 -32.51 71.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.713 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -64.72 -46.71 81.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.619 ' O ' ' N ' ' A' ' 38' ' ' ALA . 59.3 t -58.16 -75.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.665 ' HA ' ' N ' ' A' ' 39' ' ' SER . 0.7 OUTLIER -47.84 -33.3 7.17 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.532 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.69 -49.37 47.28 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 108.291 -1.923 . . . . 0.0 108.291 177.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.0 t -91.96 -60.59 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-N 114.182 -1.009 . . . . 0.0 113.142 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.619 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -82.9 -73.45 0.4 Allowed 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 -175.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.665 ' N ' ' HA ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -61.55 -14.47 30.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.231 -1.35 . . . . 0.0 114.0 -174.743 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 35' ' ' SER . . . 60.03 59.1 11.03 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.559 178.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.423 ' N ' ' HB3' ' A' ' 35' ' ' SER . . . -164.11 42.61 0.09 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.895 0.379 . . . . 0.0 111.185 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.52 -27.9 3.95 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.455 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -151.34 31.3 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.934 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -118.9 52.29 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.15 -39.76 0.4 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.772 0.32 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -90.41 44.63 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.088 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 12.6 p -92.86 122.27 35.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.846 0.355 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.71 -23.32 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.744 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -82.81 -32.85 27.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -78.57 -38.22 40.73 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.766 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 13.3 mt -71.94 -25.28 61.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.698 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -26.73 65.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.979 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 27.8 t -74.35 -66.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.187 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.84 -27.8 5.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.298 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -78.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.103 0.477 . . . . 0.0 110.941 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 2.0 ptm -56.38 -33.16 65.46 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -53.84 -62.47 1.63 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.829 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.35 17.78 2.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.874 0.369 . . . . 0.0 111.361 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 10.2 tt -89.39 -65.64 1.0 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.312 0.577 . . . . 0.0 110.631 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -22.1 59.64 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -131.9 -168.56 12.13 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.449 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 59.24 84.53 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.418 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.1 p -79.32 112.7 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 111.058 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -161.75 69.92 0.32 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.785 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 59.86 40.73 18.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.16 -103.45 1.44 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 63.0 6.73 2.35 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.403 ' O ' HG11 ' A' ' 7' ' ' VAL . . . -167.23 62.87 0.21 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.585 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.486 ' CG1' ' N ' ' A' ' 8' ' ' SER . 0.5 OUTLIER 40.74 -161.42 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.746 0.308 . . . . 0.0 111.804 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.486 ' N ' ' CG1' ' A' ' 7' ' ' VAL . 41.6 m -149.0 135.75 19.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.9 m -63.09 115.02 4.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 12' ' ' THR . 14.8 p -168.02 111.18 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.194 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 tttm 59.1 2.89 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.364 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -152.23 166.83 30.53 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -179.875 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' N ' ' CG2' ' A' ' 12' ' ' THR . 7.1 mtpt -53.86 -175.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.773 0.321 . . . . 0.0 110.704 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.5 m -117.61 -136.28 0.35 Allowed 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.3 166.08 25.66 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -89.0 153.58 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.127 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -96.07 57.7 1.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.696 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.405 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -65.3 -13.18 57.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.552 -179.682 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.36 -60.11 0.64 Allowed Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.203 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.48 -63.51 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 122.878 -0.19 . . . . 0.0 110.621 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.414 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . . . -65.1 -4.41 4.84 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.356 0.598 . . . . 0.0 112.098 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -71.21 -40.6 71.05 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 177.151 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -76.02 -21.91 56.34 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.178 177.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.414 ' CG ' ' HA ' ' A' ' 21' ' ' ALA . 44.5 mt-10 -68.1 -57.72 5.64 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.864 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -58.55 -28.3 65.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.092 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -42.22 87.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.782 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.0 m -69.15 -42.41 75.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.23 -31.11 72.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.16 -52.24 23.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.544 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.9 mm -60.22 -39.14 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.758 0.313 . . . . 0.0 111.067 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -52.85 -63.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.0 m -61.11 -31.21 70.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.603 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -66.35 -47.94 71.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.602 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 38' ' ' ALA . 46.6 t -54.6 -72.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.707 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 12.2 p -48.63 -54.2 15.6 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.574 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.41 -44.62 0.43 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 119.275 -1.44 . . . . 0.0 109.515 178.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.7 t -91.35 -70.96 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 CA-C-N 114.552 -0.824 . . . . 0.0 111.976 177.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.29 -75.04 0.34 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -177.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.707 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -62.66 5.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.203 -1.362 . . . . 0.0 114.079 -176.467 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -149.9 51.56 0.53 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.401 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.11 -21.29 59.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 111.454 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.88 52.25 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.574 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -104.37 -20.61 13.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 111.057 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.3 tp -145.99 73.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.25 -43.18 0.4 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.567 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.912 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.847 0.356 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -88.65 90.92 8.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 66.1 m -82.61 109.31 16.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.6 t -95.56 -22.03 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.688 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -32.33 26.58 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.99 -39.9 40.87 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.878 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 8.3 mp -72.08 -25.19 61.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.688 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -71.86 -25.45 61.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.976 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.28 -44.25 49.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.095 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -29.86 60.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.035 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -78.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.987 0.422 . . . . 0.0 110.831 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.6 -28.23 13.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.146 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -53.85 -67.85 0.23 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -85.35 17.71 3.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 0.0 111.687 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.45 -48.42 7.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.328 0.585 . . . . 0.0 110.524 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -61.55 -21.44 64.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 125.53 -79.26 0.37 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.489 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 173.0 76.81 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.8 p -151.69 134.34 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 111.077 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 3' ' ' TYR . 3.2 m120 -140.67 41.38 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.423 ' CG ' ' O ' ' A' ' 2' ' ' ASN . 30.0 p90 43.46 38.72 1.9 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.466 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.54 22.69 0.49 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.655 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -120.8 -19.26 7.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.625 0.25 . . . . 0.0 111.433 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 94.98 86.33 1.69 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.428 ' CG2' ' H ' ' A' ' 8' ' ' SER . 1.1 p -75.12 -161.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.428 ' H ' ' CG2' ' A' ' 7' ' ' VAL . 0.2 OUTLIER -105.59 144.13 32.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.928 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.8 m -102.29 114.83 29.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -152.13 112.19 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.939 0.4 . . . . 0.0 111.102 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm 60.88 3.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.347 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 t -151.66 -170.44 3.65 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.914 0.387 . . . . 0.0 111.227 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -164.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.674 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.4 m -124.67 -136.24 0.28 Allowed 'General case' 0 N--CA 1.431 -1.387 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.1 t -131.6 158.06 42.01 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.5 t -91.2 159.27 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.277 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -126.89 72.1 1.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.578 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -12.42 56.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.719 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 22' ' ' PHE . . . -106.68 -60.48 0.59 Allowed Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.139 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -55.12 -63.37 1.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.828 -0.219 . . . . 0.0 110.436 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.417 ' HA ' ' HB2' ' A' ' 24' ' ' GLU . . . -65.18 -5.47 6.95 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.297 0.57 . . . . 0.0 112.051 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.411 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 0.7 OUTLIER -68.52 -41.41 79.95 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 177.194 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -74.99 -23.5 58.27 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.263 -1.335 . . . . 0.0 109.218 177.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 5.7 mm-40 -73.43 -62.34 1.51 Allowed 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.097 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -54.21 -28.3 40.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.246 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -45.09 88.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.473 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.3 m -77.17 -43.92 32.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.693 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.51 -31.28 71.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.017 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.59 -53.27 21.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.1 mt -59.39 -29.91 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.721 0.296 . . . . 0.0 111.048 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -55.53 -57.22 12.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.82 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 m -61.29 -32.65 72.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.577 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -64.97 -47.95 75.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.818 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 38' ' ' ALA . 38.9 t -54.63 -73.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.038 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.697 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 16.4 p -48.68 -54.14 15.97 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.573 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.42 -44.22 0.41 Allowed Glycine 0 C--N 1.319 -0.369 0 C-N-CA 119.282 -1.437 . . . . 0.0 109.528 178.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.3 t -91.35 -71.41 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-N 114.508 -0.846 . . . . 0.0 111.86 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.48 -74.9 0.35 Allowed 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -177.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.697 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -62.58 3.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.176 -1.375 . . . . 0.0 114.317 -176.397 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -111.53 27.35 10.66 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.453 -0.879 . . . . 0.0 112.514 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.26 -22.03 59.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 111.394 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.63 81.11 0.64 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.369 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -84.28 -1.62 55.59 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.46 0.17 . . . . 0.0 111.46 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER 43.44 45.6 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 121.022 0.439 . . . . 0.0 111.513 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.14 -103.7 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 21.2 mtt . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.919 0.39 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.7 100.02 12.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.29 115.28 19.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 30.7 t -95.54 -22.61 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.638 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -31.73 24.1 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.48 -35.57 34.6 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.977 178.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 31.5 mt -77.85 -23.56 48.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.857 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -77.33 -37.74 51.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.046 0.451 . . . . 0.0 111.058 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 10.7 p -74.44 -43.39 49.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -66.38 -28.3 68.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -8' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' -4' ' ' LEU . 1.7 tt0 -56.98 -42.53 80.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 64.8 mtm -56.65 -43.03 79.93 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.749 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -53.89 -55.31 27.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.335 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -85.47 17.31 3.25 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.3 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' -8' ' ' GLU . 8.0 tt -89.68 -64.39 1.15 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.426 0.631 . . . . 0.0 110.428 179.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -72.7 -22.15 60.94 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.227 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -102.4 109.81 3.63 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -159.1 76.88 0.19 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 29.7 m -62.25 155.28 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.841 0.353 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -152.97 40.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 60.56 77.7 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.47 38.15 0.55 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -92.55 -17.63 24.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.756 0.312 . . . . 0.0 111.222 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.66 28.82 11.0 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.589 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.443 ' CG1' ' N ' ' A' ' 8' ' ' SER . 1.0 OUTLIER -75.27 -160.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.322 . . . . 0.0 110.917 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.443 ' N ' ' CG1' ' A' ' 7' ' ' VAL . 1.5 t 54.0 174.02 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.271 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.6 m -96.85 123.8 40.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.166 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.431 ' C ' ' H ' ' A' ' 12' ' ' THR . 4.0 p -172.03 109.38 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.986 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.47 3.31 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.331 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.441 ' CG2' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -152.28 166.91 30.33 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 120.66 0.267 . . . . 0.0 110.298 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' N ' ' CG2' ' A' ' 12' ' ' THR . 17.5 mttt -53.43 -176.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.804 0.335 . . . . 0.0 110.766 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.7 m -117.45 -136.38 0.35 Allowed 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.6 t -134.31 141.08 46.81 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.819 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.1 t -102.61 158.96 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.194 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -95.79 41.99 1.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -17.53 62.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.321 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 22' ' ' PHE . . . -56.58 -56.96 21.86 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.262 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -54.62 -55.92 24.49 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.438 ' HA ' ' HB2' ' A' ' 24' ' ' GLU . . . -65.33 -8.04 16.37 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.295 0.569 . . . . 0.0 112.364 178.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -68.7 -42.1 78.21 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 177.692 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.96 -25.17 61.76 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.457 -1.247 . . . . 0.0 108.692 176.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 42.5 mt-10 -70.0 -39.76 75.7 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.742 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.525 ' HG3' ' N ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -66.13 -34.12 77.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.081 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.525 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 14.4 t80 -67.71 -32.18 72.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.797 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.5 m -75.75 -37.52 59.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.761 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.91 -42.46 89.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.991 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.12 -51.52 38.29 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.438 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.8 mm -63.23 -28.28 44.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.689 0.28 . . . . 0.0 111.098 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.33 -62.43 1.66 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.068 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.5 m -59.95 -34.8 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -63.92 -50.47 68.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.555 ' O ' ' N ' ' A' ' 38' ' ' ALA . 44.6 t -54.66 -74.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.699 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 9.5 p -48.62 -54.74 13.46 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.576 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.29 -44.43 0.4 Allowed Glycine 0 C--N 1.32 -0.332 0 C-N-CA 119.209 -1.472 . . . . 0.0 109.568 178.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.0 t -91.43 -70.99 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.895 0 CA-C-N 114.57 -0.815 . . . . 0.0 112.01 177.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.38 -74.62 0.36 Allowed 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 -177.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.699 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -62.53 3.31 0.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.212 -1.358 . . . . 0.0 114.193 -176.303 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -93.08 -75.13 1.29 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.455 -0.878 . . . . 0.0 112.193 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.73 72.26 10.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.886 0.374 . . . . 0.0 111.024 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.69 53.19 3.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.648 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.2 -81.72 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.983 0.42 . . . . 0.0 111.03 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.415 ' CG2' ' O ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -163.31 89.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.943 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.43 -86.53 1.31 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.442 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.848 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.951 0.405 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -88.71 97.75 11.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 19.0 m -79.42 123.61 27.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.3 t -95.64 -22.15 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -84.11 -35.0 24.01 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.33 -35.33 41.21 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.761 178.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 21.2 tp -75.45 -24.43 57.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.888 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -74.82 -37.47 62.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.145 0.497 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.44 -24.96 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.268 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -28.98 24.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.193 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -60.26 -40.57 90.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.09 0.471 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -77.78 -39.28 44.54 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.15 -53.28 55.51 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.012 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -85.11 16.63 3.39 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.989 0.423 . . . . 0.0 111.191 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.45 -68.1 0.81 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.534 0.683 . . . . 0.0 109.741 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . 0.403 ' CD2' ' O ' ' A' ' -3' ' ' HIS . 7.5 t-160 46.06 30.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.196 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 81.29 -174.18 54.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.598 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -168.47 121.17 0.93 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.523 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 25.8 t -82.84 158.59 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 111.099 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -131.76 50.3 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 61.2 79.8 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.957 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.89 40.4 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.433 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -66.21 -20.55 66.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.707 0.289 . . . . 0.0 111.101 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 169.77 69.06 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.532 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.0 t -69.58 161.92 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.743 0.306 . . . . 0.0 111.048 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.7 p -104.24 129.12 52.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.2 m -111.37 115.24 28.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.8 p -168.39 112.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 111.039 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.81 5.46 0.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.338 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.1 t -151.35 30.17 0.62 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.671 0.272 . . . . 0.0 111.437 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.18 -160.95 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.136 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.2 m -108.62 -136.07 0.36 Allowed 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.7 t -131.58 96.86 4.07 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.007 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.2 t -100.76 159.34 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.967 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -131.3 73.7 1.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -71.37 -8.71 55.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.559 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' O ' ' CB ' ' A' ' 22' ' ' PHE . . . -108.41 -59.06 0.55 Allowed Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.072 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.4 ' C ' ' H ' ' A' ' 22' ' ' PHE . 1.4 tm0? -55.14 -64.76 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 179.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.01 -3.35 3.44 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.338 0.59 . . . . 0.0 111.968 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.41 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 1.0 OUTLIER -70.95 -40.89 71.74 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 177.2 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -75.0 -23.52 58.26 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.24 -1.346 . . . . 0.0 109.2 177.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -65.74 -47.15 76.24 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.867 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -58.78 -28.53 66.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -41.15 97.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.481 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.0 m -70.92 -36.3 72.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.643 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.81 92.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.038 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.54 -49.74 58.68 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.311 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.7 mt -62.57 -29.72 47.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.786 0.327 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -53.82 -65.39 0.58 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 m -57.42 -31.42 65.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.974 0.416 . . . . 0.0 110.432 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -65.39 -48.18 73.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.433 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.603 ' O ' ' N ' ' A' ' 38' ' ' ALA . 35.1 t -54.7 -69.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.664 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 21.2 t -48.29 -48.71 35.64 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -178.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.53 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -39.48 -46.3 2.73 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 118.949 -1.596 . . . . 0.0 109.149 178.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.9 t -91.86 -67.53 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 114.507 -0.847 . . . . 0.0 112.683 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.603 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.41 -74.98 0.34 Allowed 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -176.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.664 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -62.59 5.17 0.12 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.169 -1.378 . . . . 0.0 114.098 -176.088 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -78.44 -62.53 2.28 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.452 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 56.33 34.14 23.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.865 0.364 . . . . 0.0 111.171 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.19 -22.67 4.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.686 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.1 m -139.16 35.25 2.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.819 0.343 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 pt -84.49 52.08 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.267 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.35 27.83 4.87 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.547 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.927 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 14.6 mtt . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.876 0.369 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.61 109.38 20.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 9.1 p -67.25 101.91 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.012 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 26.7 t -95.73 -25.33 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.599 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.21 -33.81 24.05 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -79.58 -34.75 40.57 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.87 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 58.4 tp -76.42 -24.59 53.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.948 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -79.32 -40.3 30.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.129 0.49 . . . . 0.0 111.063 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 9.9 p -74.43 -26.98 20.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.316 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -24.13 61.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.84 -78.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.05 0.452 . . . . 0.0 111.202 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 4.8 ptp -51.55 -35.38 40.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.201 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -6' ' ' LYS . . . . . 0.404 ' O ' ' CD2' ' A' ' -3' ' ' HIS . 0.0 OUTLIER -54.01 -60.83 2.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 -179.822 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.33 17.01 3.3 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.969 0.414 . . . . 0.0 111.378 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.26 -44.89 9.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.346 0.593 . . . . 0.0 110.286 178.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . 0.404 ' CD2' ' O ' ' A' ' -6' ' ' LYS . 10.6 p80 -78.43 -21.95 48.42 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.43 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 73.04 73.82 0.84 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.371 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . 0.4 ' CA ' ' CE1' ' A' ' -3' ' ' HIS . . . -93.13 -176.6 40.71 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.653 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 12.0 p -85.32 160.69 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 3' ' ' TYR . 4.3 m-20 -131.56 54.16 1.94 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.401 ' CG ' ' O ' ' A' ' 2' ' ' ASN . 15.2 p90 43.29 80.12 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.477 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.26 79.97 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -57.81 -22.84 49.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.826 0.346 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.53 82.43 0.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.681 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 t -84.25 162.16 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.71 0.29 . . . . 0.0 110.759 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.8 m -142.71 114.6 8.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 0.0 111.274 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.1 m -100.91 116.25 32.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.474 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.411 ' C ' ' H ' ' A' ' 12' ' ' THR . 3.5 m -142.61 113.06 7.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 0.0 111.233 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.34 4.3 0.47 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.189 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.453 ' CG2' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -152.07 169.01 23.43 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -179.817 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.453 ' N ' ' CG2' ' A' ' 12' ' ' THR . 20.0 pttt -54.97 -170.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.715 0.293 . . . . 0.0 110.767 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.8 m -112.74 -136.25 0.36 Allowed 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.4 t -148.53 128.12 13.23 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.8 t -73.3 160.05 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -93.25 42.78 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.062 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -11.97 61.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.243 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.4 -50.66 0.75 Allowed Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.188 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.74 -63.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.421 ' HA ' ' HB2' ' A' ' 24' ' ' GLU . . . -65.07 -2.91 3.09 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.352 0.596 . . . . 0.0 112.224 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -72.57 -40.17 66.85 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 177.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.78 -24.8 59.9 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.028 177.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 1.3 mm-40 -62.56 -52.22 64.27 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.462 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -65.46 -29.14 69.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.783 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -44.56 85.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.49 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.2 m -61.96 -40.93 97.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.723 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.52 -31.94 73.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.4 -47.71 49.47 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.425 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.424 ' HA ' ' HB3' ' A' ' 33' ' ' PHE . 21.1 mt -60.48 -32.23 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.847 0.356 . . . . 0.0 110.916 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -65.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.678 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.44 -31.78 70.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.364 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.424 ' HB3' ' HA ' ' A' ' 30' ' ' ILE . 1.7 t80 -62.42 -44.64 95.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.279 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.632 ' O ' ' N ' ' A' ' 38' ' ' ALA . 63.7 t -59.92 -75.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.753 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.651 ' HA ' ' N ' ' A' ' 39' ' ' SER . 10.9 p -47.45 -26.73 1.44 Allowed 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.21 -50.11 71.29 Favored Glycine 0 N--CA 1.441 -1.014 0 N-CA-C 108.128 -1.989 . . . . 0.0 108.128 176.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.8 t -91.53 -56.27 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 114.273 -0.963 . . . . 0.0 112.908 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.632 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -82.8 -74.35 0.36 Allowed 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -176.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.651 ' N ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -62.52 1.61 0.35 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.265 -1.334 . . . . 0.0 113.838 -175.822 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 35' ' ' SER . . . 48.97 27.55 6.73 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 121.155 -0.545 . . . . 0.0 113.276 178.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.404 ' H ' ' HB2' ' A' ' 35' ' ' SER . . . 46.02 34.52 2.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.787 0.327 . . . . 0.0 111.556 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.05 107.52 3.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.284 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.9 p -81.59 -29.34 33.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.948 0.404 . . . . 0.0 111.244 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.1 tp -163.35 70.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.379 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.13 -140.14 7.17 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.73 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 120.784 0.326 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -88.64 66.73 8.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.025 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 28.9 m -92.91 94.91 9.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 26.3 t -95.54 -25.62 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.506 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.16 -30.33 25.93 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.94 -39.31 34.95 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.096 178.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 4.8 tt -73.26 -26.32 61.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.837 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -67.63 -32.79 73.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.999 0.428 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 29.9 t -74.54 -33.93 33.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.145 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -55.18 -24.45 26.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.288 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -56.21 -68.33 0.22 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.089 0.471 . . . . 0.0 111.091 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 6.7 ptm -68.98 -32.57 72.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.01 -58.88 5.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.858 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -85.24 17.34 3.1 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 111.417 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 6.5 tp -89.46 -62.76 1.4 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.429 0.633 . . . . 0.0 110.346 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.81 -23.21 31.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.112 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -84.93 -151.59 14.72 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.607 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 133.82 156.93 8.11 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.481 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 5.5 m -59.26 118.29 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 0.0 111.167 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -158.79 69.26 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 59.93 39.6 20.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.861 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.07 -33.99 6.01 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.549 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 37.0 t30 63.59 6.23 2.5 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.401 ' O ' HG11 ' A' ' 7' ' ' VAL . . . 75.6 54.81 5.29 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.56 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.481 ' CG1' ' N ' ' A' ' 8' ' ' SER . 0.5 OUTLIER 41.25 -161.82 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-O 120.853 0.359 . . . . 0.0 111.774 179.852 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.481 ' N ' ' CG1' ' A' ' 7' ' ' VAL . 1.3 m -113.5 115.07 27.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.3 m -88.88 112.91 23.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 m -156.48 19.1 0.34 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.439 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.05 -31.4 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.691 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.562 ' C ' ' H ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -137.16 173.73 11.37 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.586 -179.288 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.488 ' N ' ' CG2' ' A' ' 12' ' ' THR . 14.4 mttm -69.27 28.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.562 ' H ' ' C ' ' A' ' 12' ' ' THR . 4.1 m 74.78 67.67 0.08 Allowed 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.921 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.83 90.61 0.78 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.0 t -59.23 161.13 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.987 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.1 p30 -85.26 52.01 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.039 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 4.0 m0 -76.55 -4.74 44.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.336 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -109.65 -51.24 0.66 Allowed Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.162 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -54.8 -65.71 0.53 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.95 -4.79 4.94 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.403 0.621 . . . . 0.0 112.018 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -70.95 -38.64 72.85 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 177.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -27.0 61.11 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.504 -1.225 . . . . 0.0 108.327 176.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.52 -36.32 80.81 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.201 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.532 ' HG3' ' N ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -74.8 -35.73 62.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.669 179.859 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.532 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -61.91 -35.54 78.68 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.224 179.473 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.2 m -57.83 -39.3 77.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.522 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.49 -31.29 68.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.971 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.08 -46.6 9.13 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.741 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.2 mm -53.87 -40.41 44.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.747 0.308 . . . . 0.0 111.27 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -54.65 -38.9 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.026 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 m -72.52 -45.95 56.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.072 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -44.47 97.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' A' ' 38' ' ' ALA . 44.7 t -54.66 -73.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.998 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.69 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 19.8 p -48.6 -53.69 17.46 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -178.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.89 -44.23 0.47 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 119.121 -1.514 . . . . 0.0 109.569 178.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 50.7 t -91.4 -71.33 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 114.534 -0.833 . . . . 0.0 111.974 177.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.33 -74.99 0.34 Allowed 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -177.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.69 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -63.31 7.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.185 -1.371 . . . . 0.0 114.172 -176.568 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -145.47 54.21 0.55 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.447 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.06 -44.01 0.2 Allowed 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.002 0.429 . . . . 0.0 111.359 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 59.84 90.88 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.504 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.6 t -105.23 -19.76 13.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.713 0.292 . . . . 0.0 111.167 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.1 mm -103.11 59.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.943 0.402 . . . . 0.0 111.162 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.91 -109.42 2.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.612 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' -16' ' ' SER . . . . . 0.448 ' O ' HD23 ' A' ' -12' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.866 0.365 . . . . 0.0 110.932 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 30.8 t -95.44 -23.82 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.694 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.55 -32.25 28.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -77.1 -40.91 44.17 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.05 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' -12' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' -16' ' ' SER . 4.0 mm? -74.73 -21.37 59.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.961 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.59 -36.83 84.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.029 0.442 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 29.8 t -72.62 -48.62 45.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -60.35 -39.19 86.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.696 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -65.97 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' -7' ' ' MET . . . . . 0.436 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 7.6 ptm -51.04 -31.64 19.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.032 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' -6' ' ' LYS . . . . . 0.429 ' N ' ' HG3' ' A' ' -7' ' ' MET . 1.6 tttt -54.12 -65.16 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -85.42 17.73 3.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.711 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' -4' ' ' LEU . . . . . 0.436 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.3 OUTLIER . . . . . 0 C--N 1.321 -0.645 0 CA-C-O 121.31 0.576 . . . . 0.0 110.572 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.762 ' O ' HG23 ' A' ' 34' ' ' VAL . 66.1 mt -59.22 -33.79 51.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.71 0.291 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -55.59 -56.08 24.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.653 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 t -62.18 -32.87 73.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.462 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -64.85 -41.32 95.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.748 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 30' ' ' ILE . 51.5 t -54.7 -74.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.739 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 12.1 p -48.54 -54.74 13.25 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.577 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.17 -43.9 0.35 Allowed Glycine 0 C--N 1.32 -0.338 0 C-N-CA 119.299 -1.429 . . . . 0.0 109.625 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.4 t -91.29 -71.58 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 CA-C-N 114.581 -0.809 . . . . 0.0 111.83 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.42 -75.15 0.34 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -177.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.739 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 114.184 -1.371 . . . . 0.0 114.173 -176.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' -16' ' ' SER . . . . . 0.457 ' O ' HD12 ' A' ' -12' ' ' LEU . 49.3 p . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.877 0.37 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 20.9 t -95.44 -26.0 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.494 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' -14' ' ' LYS . . . . . 0.74 ' O ' HG23 ' A' ' -10' ' ' VAL . 0.0 OUTLIER -79.29 -36.65 39.38 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.121 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.72 -39.02 64.61 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.738 178.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' -12' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' -16' ' ' SER . 6.3 mt -66.85 -27.88 67.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.601 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.29 -27.2 59.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.946 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' -10' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' -14' ' ' LYS . 21.8 t -74.42 -34.21 35.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -60.39 -30.45 69.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -59.74 -68.58 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.131 0.491 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -55.24 -30.68 60.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.937 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -61.89 2.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.766 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -85.31 17.3 3.16 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.901 0.381 . . . . 0.0 111.325 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' -4' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' -4' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.323 -0.577 0 CA-C-O 121.336 0.589 . . . . 0.0 110.184 179.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.391 -0.284 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.547 ' O ' HG23 ' A' ' 34' ' ' VAL . 45.8 mt -60.0 -27.78 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 110.98 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -55.43 -66.39 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.829 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.43 -31.77 64.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.488 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.406 ' HD2' HG23 ' A' ' 30' ' ' ILE . 1.3 t80 -63.12 -59.19 5.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.266 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 30' ' ' ILE . 64.5 t -54.66 -74.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.708 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.73 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -48.75 -52.86 21.5 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.92 -43.53 0.43 Allowed Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 178.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.0 t -91.43 -72.56 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-N 114.457 -0.871 . . . . 0.0 111.906 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.41 -75.24 0.33 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -177.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.73 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 1.7 t . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 114.0 -1.454 . . . . 0.0 114.309 -176.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' -16' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' -12' ' ' LEU . 17.2 t . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.879 0.371 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 19.0 t -95.5 -24.55 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.561 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.7 -30.44 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 178.066 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' -13' ' ' GLU . . . . . 0.559 ' O ' HG12 ' A' ' -10' ' ' VAL . 30.7 tt0 -77.57 -41.18 39.78 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.049 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' -12' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' -12' ' ' LEU . 0.1 OUTLIER -72.82 -24.02 60.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.934 179.443 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -36.37 57.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.079 0.466 . . . . 0.0 110.963 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' -10' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' -13' ' ' GLU . 9.6 p -74.39 -30.23 25.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.101 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -64.04 -40.64 96.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.17 -44.1 95.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.101 0.476 . . . . 0.0 111.025 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' -7' ' ' MET . . . . . 0.462 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 6.6 ptm -73.75 -30.11 62.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.998 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' -6' ' ' LYS . . . . . 0.497 ' NZ ' HG22 ' A' ' -10' ' ' VAL . 0.1 OUTLIER -54.78 -58.98 5.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.356 -179.731 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -85.03 16.69 3.29 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.932 0.396 . . . . 0.0 111.498 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' -4' ' ' LEU . . . . . 0.462 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.4 OUTLIER . . . . . 0 C--N 1.322 -0.611 0 CA-C-O 121.456 0.646 . . . . 0.0 109.896 178.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.598 ' O ' HG23 ' A' ' 34' ' ' VAL . 34.5 mt -63.27 -29.97 48.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 111.044 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.46 -56.43 21.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.777 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.3 t -61.18 -32.87 72.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.622 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -63.45 -54.32 38.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.784 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 30' ' ' ILE . 48.1 t -54.78 -73.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.993 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.729 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 48.1 t -48.21 -55.98 9.09 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.558 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.31 -44.29 0.4 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 119.273 -1.441 . . . . 0.0 109.758 178.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.6 t -91.47 -70.54 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 CA-C-N 114.628 -0.786 . . . . 0.0 112.102 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.47 -75.1 0.34 Allowed 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -177.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.729 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 114.101 -1.409 . . . . 0.0 113.986 -176.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.88 0.371 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 16.2 t -95.76 -23.14 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.73 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' -14' ' ' LYS . . . . . 0.651 ' O ' HG23 ' A' ' -10' ' ' VAL . 4.8 ttpt -84.66 -35.31 22.71 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -79.03 -35.74 42.2 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.913 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 3.2 tp -76.8 -23.67 52.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.785 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -74.22 -24.67 59.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.032 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' -10' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' -14' ' ' LYS . 18.4 t -74.38 -47.54 39.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.405 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -37.16 45.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.161 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.55 -74.3 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.971 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 15.5 ptm -55.42 -24.34 29.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.118 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' -6' ' ' LYS . . . . . 0.619 ' HE2' HG12 ' A' ' -10' ' ' VAL . 0.3 OUTLIER -54.12 -57.26 11.79 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.821 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -85.34 16.86 3.4 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.914 0.388 . . . . 0.0 111.215 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 23.4 tp . . . . . 0 C--N 1.323 -0.56 0 CA-C-O 121.365 0.602 . . . . 0.0 109.963 178.634 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 112.285 -0.326 . . . . 0.0 112.285 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.456 ' O ' HG23 ' A' ' 34' ' ' VAL . 28.3 mt -59.83 -30.57 45.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.738 0.304 . . . . 0.0 110.82 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -56.76 -52.25 65.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.543 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.6 t -60.7 -33.27 72.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.193 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -56.03 23.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.28 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 38' ' ' ALA . 24.1 t -54.78 -70.62 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.624 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.729 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 18.8 p -48.72 -53.64 18.08 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.575 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.55 -44.63 0.45 Allowed Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 178.521 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.9 t -91.41 -70.88 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 114.51 -0.845 . . . . 0.0 111.961 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.31 -75.26 0.33 Allowed 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -177.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.729 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 114.208 -1.36 . . . . 0.0 114.21 -176.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.881 0.372 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.75 -23.35 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.47 -36.73 23.93 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -77.36 -36.17 53.92 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.681 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 36.2 tp -72.85 -26.12 61.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.618 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.42 -26.25 66.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.961 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 25.9 t -72.63 -50.19 35.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -59.37 -39.25 82.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.76 -70.69 0.17 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.783 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -52.2 -28.78 19.62 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.04 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -53.95 -65.85 0.5 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.42 17.78 3.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.613 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.321 -0.666 0 CA-C-O 121.36 0.6 . . . . 0.0 110.618 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.6 mm -60.88 -39.46 82.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.855 0.36 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.27 -46.71 87.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.759 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -33.44 72.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.773 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -63.49 -48.65 76.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.965 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.545 ' O ' ' N ' ' A' ' 38' ' ' ALA . 41.7 t -54.68 -74.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.018 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.747 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 30.2 t -48.42 -56.26 8.67 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.55 -44.27 0.29 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 119.349 -1.405 . . . . 0.0 109.714 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' SER . 47.8 t -91.35 -71.09 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 CA-C-N 114.619 -0.79 . . . . 0.0 112.106 177.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.34 -74.82 0.35 Allowed 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -177.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.747 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 114.169 -1.378 . . . . 0.0 114.027 -176.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' -16' ' ' SER . . . . . 0.687 ' O ' HD13 ' A' ' -12' ' ' LEU . 44.3 m . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 28.3 t -95.54 -23.42 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.698 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' -14' ' ' LYS . . . . . 0.464 ' O ' HG23 ' A' ' -10' ' ' VAL . 0.0 OUTLIER -80.94 -35.75 31.85 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.307 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.42 -39.49 58.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.816 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' -12' ' ' LEU . . . . . 0.687 HD13 ' O ' ' A' ' -16' ' ' SER . 7.2 mp -69.55 -25.75 64.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.708 179.401 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -34.09 74.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.028 0.442 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' -10' ' ' VAL . . . . . 0.772 HG12 ' HD2' ' A' ' -6' ' ' LYS . 21.5 t -74.54 -55.2 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -30.37 66.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.931 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.38 -80.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.049 0.452 . . . . 0.0 111.051 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -24.92 30.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.195 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' -6' ' ' LYS . . . . . 0.772 ' HD2' HG12 ' A' ' -10' ' ' VAL . 3.5 mttp -53.91 -67.21 0.28 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -85.32 17.9 2.9 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.553 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--N 1.321 -0.652 0 CA-C-O 121.326 0.584 . . . . 0.0 110.757 179.621 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.561 -0.216 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.882 ' O ' HG23 ' A' ' 34' ' ' VAL . 43.5 mt -57.96 -30.08 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.784 0.326 . . . . 0.0 111.058 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -50.4 -64.96 0.65 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.987 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 m -57.88 -32.81 68.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.434 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.449 ' CD2' HG23 ' A' ' 30' ' ' ILE . 0.5 OUTLIER -67.11 -35.14 79.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.449 179.631 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 30' ' ' ILE . 48.8 t -54.7 -71.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.742 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.737 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -48.81 -52.56 23.33 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -179.089 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.57 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.84 -44.12 0.46 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 178.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.4 t -91.46 -72.18 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.912 0 CA-C-N 114.502 -0.849 . . . . 0.0 111.942 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.43 -75.36 0.33 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -177.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.737 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 1.7 t . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 114.037 -1.438 . . . . 0.0 114.287 -176.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.928 0.395 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.77 -23.31 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.765 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' -14' ' ' LYS . . . . . 0.523 ' O ' HG23 ' A' ' -10' ' ' VAL . 12.3 tppt? -85.72 -33.87 21.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -80.59 -33.93 35.63 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.946 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 4.1 tp -79.35 -23.84 43.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.807 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -70.16 -32.56 70.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' -10' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' -14' ' ' LYS . 25.9 t -74.52 -49.76 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -42.25 75.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.005 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -72.66 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.224 0.535 . . . . 0.0 110.931 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 1.9 ptm -54.66 -24.35 21.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.9 -67.74 0.24 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -85.34 17.89 2.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.623 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.321 -0.669 0 CA-C-O 121.263 0.554 . . . . 0.0 110.624 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.901 ' O ' HG23 ' A' ' 34' ' ' VAL . 44.9 mt -59.67 -34.34 54.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 111.088 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -52.86 -66.59 0.36 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.775 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 m -58.48 -30.72 67.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.371 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.441 ' HB3' ' HA ' ' A' ' 30' ' ' ILE . 2.1 t80 -65.58 -44.63 86.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.429 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 30' ' ' ILE . 50.5 t -54.74 -74.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.737 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -48.63 -53.75 17.34 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -178.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.559 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.83 -43.81 0.44 Allowed Glycine 0 C--N 1.318 -0.425 0 C-N-CA 119.19 -1.481 . . . . 0.0 109.537 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.1 t -91.47 -71.97 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.914 0 CA-C-N 114.57 -0.815 . . . . 0.0 111.949 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.34 -75.43 0.32 Allowed 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -177.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.737 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 114.055 -1.429 . . . . 0.0 114.226 -176.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.96 0.41 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.62 -22.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.715 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -86.95 -31.6 20.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -81.8 -34.65 30.17 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.064 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' -12' ' ' LEU . . . . . 0.461 ' O ' HD23 ' A' ' -12' ' ' LEU . 6.9 tt -80.25 -24.47 40.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.167 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -87.2 -30.65 20.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.967 0.413 . . . . 0.0 111.068 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' -10' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' -9' ' ' LYS . 12.0 p -74.5 -41.32 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' -9' ' ' LYS . . . . . 0.41 ' N ' HG13 ' A' ' -10' ' ' VAL . 1.2 mptt -57.92 -39.97 79.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.94 -70.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.106 0.479 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 9.7 ptm -52.89 -37.91 61.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.91 -59.23 5.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.766 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.31 16.73 3.47 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.932 0.396 . . . . 0.0 111.293 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 121.317 0.58 . . . . 0.0 109.957 178.628 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.91 ' O ' HG23 ' A' ' 34' ' ' VAL . 55.2 mt -56.73 -27.1 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.72 0.295 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.91 -66.54 0.37 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 m -57.41 -33.1 67.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.523 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.477 ' CD2' HG23 ' A' ' 30' ' ' ILE . 0.5 OUTLIER -64.34 -44.37 91.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.542 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 30' ' ' ILE . 48.1 t -54.56 -73.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.734 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -48.67 -55.97 9.82 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.576 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.49 -44.04 0.27 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 119.361 -1.399 . . . . 0.0 109.683 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' SER . 51.8 t -91.13 -71.57 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.932 0 CA-C-N 114.612 -0.794 . . . . 0.0 111.895 177.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.52 -74.83 0.35 Allowed 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 114.652 1.352 . . . . 0.0 114.652 -177.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.734 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 114.075 -1.42 . . . . 0.0 114.148 -176.359 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 40.6 t -95.69 -25.18 4.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.642 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' -14' ' ' LYS . . . . . 0.553 ' O ' HG23 ' A' ' -10' ' ' VAL . 0.5 OUTLIER -84.23 -33.6 24.07 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.413 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.83 -36.9 41.85 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.879 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 8.4 tt -75.84 -24.26 55.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.712 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.07 -25.24 61.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.988 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' -10' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' -14' ' ' LYS . 21.5 t -72.02 -45.45 63.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -61.23 -28.47 69.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -60.08 -45.77 91.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.099 0.476 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' -7' ' ' MET . . . . . 0.457 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 2.6 ptm -76.31 -28.16 56.84 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' -6' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' -7' ' ' MET . 0.5 OUTLIER -54.19 -53.78 48.76 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.148 -179.832 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -85.06 16.51 3.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.961 0.41 . . . . 0.0 111.328 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' -4' ' ' LEU . . . . . 0.457 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.536 0 CA-C-O 121.515 0.674 . . . . 0.0 109.895 178.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.352 -0.299 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.724 ' O ' HG23 ' A' ' 34' ' ' VAL . 18.7 mt -61.44 -35.08 64.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.857 0.36 . . . . 0.0 110.988 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -56.27 -60.83 2.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 p -60.51 -33.93 73.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.106 0.479 . . . . 0.0 110.168 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.406 ' HB3' ' HA ' ' A' ' 30' ' ' ILE . 1.2 t80 -60.36 -55.65 31.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.26 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 30' ' ' ILE . 47.3 t -54.72 -71.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.755 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.727 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 10.2 t -48.11 -57.14 6.25 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.561 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.9 -45.14 0.38 Allowed Glycine 0 C--N 1.319 -0.416 0 C-N-CA 119.266 -1.445 . . . . 0.0 109.823 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -91.42 -69.11 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 CA-C-N 114.704 -0.748 . . . . 0.0 112.229 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.592 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.53 -74.96 0.35 Allowed 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -177.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.727 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 114.154 -1.385 . . . . 0.0 114.072 -176.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' -16' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' -12' ' ' LEU . 57.7 m . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.87 0.367 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.1 t -95.53 -22.9 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.654 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' -14' ' ' LYS . . . . . 0.685 ' O ' HG23 ' A' ' -10' ' ' VAL . 0.9 OUTLIER -81.2 -32.12 33.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.172 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -76.53 -42.51 42.83 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.851 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' -12' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' -16' ' ' SER . 1.0 OUTLIER -70.55 -24.66 62.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.625 179.315 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -72.08 -29.62 64.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' -10' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' -14' ' ' LYS . 30.2 t -74.5 -43.33 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.019 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -59.05 -33.41 70.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.81 -68.21 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.084 0.469 . . . . 0.0 110.95 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' -7' ' ' MET . . . . . 0.404 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 3.9 ptm -60.18 -26.91 66.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.946 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -64.91 0.67 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.23 17.73 2.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 111.625 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' -4' ' ' LEU . . . . . 0.404 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.9 OUTLIER . . . . . 0 C--N 1.32 -0.7 0 CA-C-O 121.325 0.583 . . . . 0.0 110.638 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.649 -0.18 . . . . 0.0 112.649 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.742 ' O ' HG23 ' A' ' 34' ' ' VAL . 60.6 mt -59.28 -29.68 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.733 0.302 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -55.09 -56.17 22.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.926 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -34.12 74.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.58 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -64.44 -40.01 94.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.816 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 30' ' ' ILE . 56.0 t -54.68 -73.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.721 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 18.7 t -48.11 -56.97 6.52 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -178.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.577 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.91 -44.76 0.37 Allowed Glycine 0 C--N 1.319 -0.383 0 C-N-CA 119.221 -1.466 . . . . 0.0 109.859 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.4 t -91.51 -69.7 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-N 114.643 -0.779 . . . . 0.0 112.197 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.4 -74.9 0.35 Allowed 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -177.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.721 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 114.151 -1.386 . . . . 0.0 114.017 -176.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.159 0 CA-C-O 121.003 0.43 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 26.1 t -95.59 -25.1 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.56 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' -14' ' ' LYS . . . . . 0.856 ' O ' HG23 ' A' ' -10' ' ' VAL . 0.3 OUTLIER -85.55 -30.27 23.51 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.3 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -79.44 -38.67 34.1 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.094 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' -12' ' ' LEU . . . . . 0.833 HD13 ' O ' ' A' ' -12' ' ' LEU . 1.4 tm? -76.02 -25.67 55.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.839 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -72.18 -31.73 66.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.014 0.435 . . . . 0.0 110.888 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' -10' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' -14' ' ' LYS . 21.7 t -74.46 -42.34 49.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.131 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -26.91 43.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.246 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -55.84 -77.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.051 0.453 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -61.03 -35.28 76.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.933 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' -6' ' ' LYS . . . . . 0.815 ' HG3' HG12 ' A' ' -10' ' ' VAL . 8.9 mtmt -54.04 -52.93 59.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -85.14 16.28 3.64 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.972 0.415 . . . . 0.0 111.29 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 22.4 tp . . . . . 0 C--N 1.323 -0.58 0 CA-C-O 121.489 0.662 . . . . 0.0 109.776 178.502 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.183 -0.367 . . . . 0.0 112.183 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.708 ' O ' HG23 ' A' ' 34' ' ' VAL . 26.0 mt -62.72 -29.43 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.61 -66.17 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.778 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 t -55.95 -32.18 63.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.098 0.475 . . . . 0.0 110.403 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.423 ' HD2' HG23 ' A' ' 30' ' ' ILE . 1.7 t80 -63.92 -60.04 3.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.259 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 30' ' ' ILE . 36.8 t -54.58 -68.77 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.231 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.725 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.75 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 48.3 t -48.29 -56.04 9.05 Favored 'General case' 0 CA--C 1.506 -0.738 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.87 -45.57 0.4 Allowed Glycine 0 C--N 1.319 -0.395 0 C-N-CA 119.24 -1.457 . . . . 0.0 109.675 178.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.3 t -91.5 -69.26 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 114.665 -0.767 . . . . 0.0 112.298 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.591 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.28 -74.83 0.35 Allowed 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -177.469 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.75 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 114.147 -1.388 . . . . 0.0 114.005 -176.557 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.916 0.389 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.1 t -95.46 -23.73 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.627 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -31.79 24.31 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.206 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' -13' ' ' GLU . . . . . 0.562 ' O ' HG12 ' A' ' -10' ' ' VAL . 19.6 tt0 -79.77 -35.11 39.17 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.202 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' -12' ' ' LEU . . . . . 0.592 ' O ' HD23 ' A' ' -12' ' ' LEU . 5.2 tt -81.16 -20.97 40.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.372 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -87.91 -28.75 21.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.886 0.374 . . . . 0.0 111.45 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' -10' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' -13' ' ' GLU . 14.4 p -68.74 -28.93 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -45.47 67.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.59 -56.11 26.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.024 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' -7' ' ' MET . . . . . 0.416 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 1.7 ptm -59.62 -31.19 69.27 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -54.02 -61.74 2.11 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.14 17.35 3.03 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.913 0.387 . . . . 0.0 111.658 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' -4' ' ' LEU . . . . . 0.416 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.7 OUTLIER . . . . . 0 C--N 1.322 -0.619 0 CA-C-O 121.368 0.604 . . . . 0.0 110.457 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.309 -0.316 . . . . 0.0 112.309 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.903 ' O ' HG23 ' A' ' 34' ' ' VAL . 4.6 mp -64.8 -31.81 55.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.752 0.311 . . . . 0.0 110.975 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -53.32 -66.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.07 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.9 -30.66 67.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -67.46 -47.26 70.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.727 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 30' ' ' ILE . 60.3 t -54.68 -73.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.738 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -48.78 -52.89 21.46 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.565 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.75 -43.81 0.43 Allowed Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 178.534 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.0 t -91.48 -72.35 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 CA-C-N 114.503 -0.848 . . . . 0.0 111.855 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.37 -75.03 0.34 Allowed 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -177.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.738 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 1.8 t . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 114.154 -1.385 . . . . 0.0 114.347 -176.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 59.4 p . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.944 0.402 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 18.6 t -95.69 -25.65 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.63 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -83.28 -34.02 25.85 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.71 -36.7 43.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.819 178.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -73.26 -25.43 60.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.694 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.47 -24.73 63.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.959 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.06 -46.86 44.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -37.86 70.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -50.75 -74.1 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -23.79 67.37 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -52.63 -32.43 41.8 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -66.99 -135.96 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.132 -1.395 . . . . 0.0 108.024 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' -4' ' ' LEU . . . . . 0.699 ' O ' HD23 ' A' ' -4' ' ' LEU . 9.9 tt . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.661 -0.175 . . . . 0.0 112.661 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.894 ' O ' HG23 ' A' ' 34' ' ' VAL . 75.5 mt -57.71 -32.78 43.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.689 0.28 . . . . 0.0 111.148 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -50.45 -63.5 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -60.81 -32.44 71.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -66.9 -39.18 87.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.987 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 30' ' ' ILE . 60.0 t -54.73 -75.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.016 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.737 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 9.1 p -48.58 -54.57 13.99 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.572 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.31 -44.04 0.38 Allowed Glycine 0 C--N 1.319 -0.406 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 178.663 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.2 t -91.29 -71.53 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-N 114.583 -0.809 . . . . 0.0 111.93 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.34 -74.89 0.35 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -177.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.737 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 114.188 -1.369 . . . . 0.0 114.248 -176.409 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' -16' ' ' SER . . . . . 0.56 ' O ' HD12 ' A' ' -12' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.887 0.375 . . . . 0.0 110.945 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.56 -24.05 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.586 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' -14' ' ' LYS . . . . . 0.428 ' O ' HG23 ' A' ' -10' ' ' VAL . 5.7 ttmt -81.55 -32.29 32.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.149 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.79 -40.83 46.83 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.909 178.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' -12' ' ' LEU . . . . . 0.56 HD12 ' O ' ' A' ' -16' ' ' SER . 0.4 OUTLIER -70.29 -25.11 63.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.687 179.324 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -33.93 75.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.077 0.465 . . . . 0.0 110.801 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' -10' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' -14' ' ' LYS . 24.1 t -74.61 -29.62 23.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.144 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -56.44 -28.24 58.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.161 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -73.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.108 0.48 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -32.22 58.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -62.79 1.42 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.4 17.82 2.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.561 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 5.8 tp . . . . . 0 C--N 1.322 -0.597 0 CA-C-O 121.274 0.559 . . . . 0.0 110.542 179.469 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.644 -0.182 . . . . 0.0 112.644 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.889 ' O ' HG23 ' A' ' 34' ' ' VAL . 56.1 mt -58.0 -25.55 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.722 0.296 . . . . 0.0 111.22 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -52.39 -66.32 0.4 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.106 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 p -60.29 -32.51 71.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.713 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -64.72 -46.71 81.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 30' ' ' ILE . 59.3 t -58.16 -75.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.69 ' HA ' ' N ' ' A' ' 39' ' ' SER . 0.7 OUTLIER -47.84 -33.3 7.17 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.532 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.69 -49.37 47.28 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 108.291 -1.923 . . . . 0.0 108.291 177.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.0 t -91.96 -60.59 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-N 114.182 -1.009 . . . . 0.0 113.142 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.619 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -82.9 -73.45 0.4 Allowed 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 -175.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.69 ' N ' ' HA ' ' A' ' 35' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.584 0 CA-C-N 114.231 -1.35 . . . . 0.0 114.0 -174.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' -16' ' ' SER . . . . . 0.675 ' O ' HD12 ' A' ' -12' ' ' LEU . 12.6 p . . . . . 0 C--O 1.234 0.238 0 CA-C-O 120.846 0.355 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.71 -23.32 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.744 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -82.81 -32.85 27.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -78.57 -38.22 40.73 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.766 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' -12' ' ' LEU . . . . . 0.675 HD12 ' O ' ' A' ' -16' ' ' SER . 13.3 mt -71.94 -25.28 61.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.698 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -26.73 65.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.979 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 27.8 t -74.35 -66.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.187 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.84 -27.8 5.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.298 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -78.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.103 0.477 . . . . 0.0 110.941 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 2.0 ptm -56.38 -33.16 65.46 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -53.84 -62.47 1.63 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.829 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.35 17.78 2.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.874 0.369 . . . . 0.0 111.361 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' -4' ' ' LEU . . . . . 0.462 ' C ' HD23 ' A' ' -4' ' ' LEU . 10.2 tt . . . . . 0 C--N 1.322 -0.616 0 CA-C-O 121.312 0.577 . . . . 0.0 110.631 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.544 -0.223 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.913 ' O ' HG23 ' A' ' 34' ' ' VAL . 44.9 mm -60.22 -39.14 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.758 0.313 . . . . 0.0 111.067 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -52.85 -63.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.0 m -61.11 -31.21 70.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.603 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -66.35 -47.94 71.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.602 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 30' ' ' ILE . 46.6 t -54.6 -72.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.744 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 12.2 p -48.63 -54.2 15.6 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.574 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.41 -44.62 0.43 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 119.275 -1.44 . . . . 0.0 109.515 178.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.7 t -91.35 -70.96 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 CA-C-N 114.552 -0.824 . . . . 0.0 111.976 177.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.29 -75.04 0.34 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -177.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.744 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 114.203 -1.362 . . . . 0.0 114.079 -176.467 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' -16' ' ' SER . . . . . 0.613 ' O ' HD13 ' A' ' -12' ' ' LEU . 66.1 m . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.6 t -95.56 -22.03 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.688 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' -14' ' ' LYS . . . . . 0.6 ' O ' HG23 ' A' ' -10' ' ' VAL . 0.0 OUTLIER -83.21 -32.33 26.58 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.252 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.99 -39.9 40.87 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.878 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' -12' ' ' LEU . . . . . 0.613 HD13 ' O ' ' A' ' -16' ' ' SER . 8.3 mp -72.08 -25.19 61.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.688 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -71.86 -25.45 61.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.976 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' -10' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' -14' ' ' LYS . 21.4 t -74.28 -44.25 49.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.095 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -29.86 60.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.035 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -78.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.987 0.422 . . . . 0.0 110.831 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' -7' ' ' MET . . . . . 0.412 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 0.3 OUTLIER -51.6 -28.23 13.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.146 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -53.85 -67.85 0.23 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -85.35 17.71 3.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 0.0 111.687 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' -4' ' ' LEU . . . . . 0.412 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.2 OUTLIER . . . . . 0 C--N 1.321 -0.635 0 CA-C-O 121.328 0.585 . . . . 0.0 110.524 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.787 ' O ' HG23 ' A' ' 34' ' ' VAL . 71.1 mt -59.39 -29.91 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.721 0.296 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -55.53 -57.22 12.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.82 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 m -61.29 -32.65 72.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.577 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -64.97 -47.95 75.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.818 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 30' ' ' ILE . 38.9 t -54.63 -73.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.038 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.733 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 16.4 p -48.68 -54.14 15.97 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.573 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.42 -44.22 0.41 Allowed Glycine 0 C--N 1.319 -0.369 0 C-N-CA 119.282 -1.437 . . . . 0.0 109.528 178.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.3 t -91.35 -71.41 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-N 114.508 -0.846 . . . . 0.0 111.86 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.48 -74.9 0.35 Allowed 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -177.539 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.733 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 114.176 -1.375 . . . . 0.0 114.317 -176.397 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' -16' ' ' SER . . . . . 0.475 ' O ' HD12 ' A' ' -12' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.872 0.367 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 30.7 t -95.54 -22.61 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.638 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -31.73 24.1 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.48 -35.57 34.6 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.977 178.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' -12' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' -16' ' ' SER . 31.5 mt -77.85 -23.56 48.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.857 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -77.33 -37.74 51.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.046 0.451 . . . . 0.0 111.058 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' -10' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' -9' ' ' LYS . 10.7 p -74.44 -43.39 49.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' -9' ' ' LYS . . . . . 0.443 ' N ' HG13 ' A' ' -10' ' ' VAL . 1.5 ttmt -66.38 -28.3 68.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' -8' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' -4' ' ' LEU . 1.7 tt0 -56.98 -42.53 80.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 64.8 mtm -56.65 -43.03 79.93 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.749 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -53.89 -55.31 27.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.335 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -85.47 17.31 3.25 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.3 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' -4' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' -8' ' ' GLU . 8.0 tt . . . . . 0 C--N 1.323 -0.553 0 CA-C-O 121.426 0.631 . . . . 0.0 110.428 179.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.898 ' O ' HG23 ' A' ' 34' ' ' VAL . 33.8 mm -63.23 -28.28 44.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.689 0.28 . . . . 0.0 111.098 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.33 -62.43 1.66 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.068 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.5 m -59.95 -34.8 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -63.92 -50.47 68.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 30' ' ' ILE . 44.6 t -54.66 -74.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.734 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 9.5 p -48.62 -54.74 13.46 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.576 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.29 -44.43 0.4 Allowed Glycine 0 C--N 1.32 -0.332 0 C-N-CA 119.209 -1.472 . . . . 0.0 109.568 178.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.0 t -91.43 -70.99 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.895 0 CA-C-N 114.57 -0.815 . . . . 0.0 112.01 177.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.38 -74.62 0.36 Allowed 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 -177.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.734 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 114.212 -1.358 . . . . 0.0 114.193 -176.303 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' -16' ' ' SER . . . . . 0.401 ' CB ' ' HB2' ' A' ' -13' ' ' GLU . 19.0 m . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.3 t -95.64 -22.15 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' -14' ' ' LYS . . . . . 0.717 ' O ' HG23 ' A' ' -10' ' ' VAL . 8.1 ttmt -84.11 -35.0 24.01 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.534 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' -13' ' ' GLU . . . . . 0.401 ' HB2' ' CB ' ' A' ' -16' ' ' SER . 0.5 OUTLIER -79.33 -35.33 41.21 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.761 178.886 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 21.2 tp -75.45 -24.43 57.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.888 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -74.82 -37.47 62.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.145 0.497 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' -10' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' -14' ' ' LYS . 21.9 t -74.44 -24.96 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.268 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -28.98 24.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.193 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -60.26 -40.57 90.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.09 0.471 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' -7' ' ' MET . . . . . 0.415 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 1.6 mpp? -77.78 -39.28 44.54 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.15 -53.28 55.51 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.012 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -85.11 16.63 3.39 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.989 0.423 . . . . 0.0 111.191 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' -4' ' ' LEU . . . . . 0.415 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.545 0 CA-C-O 121.534 0.683 . . . . 0.0 109.741 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.311 -0.316 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.922 ' O ' HG23 ' A' ' 34' ' ' VAL . 28.7 mt -62.57 -29.72 47.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.786 0.327 . . . . 0.0 110.944 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -53.82 -65.39 0.58 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 m -57.42 -31.42 65.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.974 0.416 . . . . 0.0 110.432 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -65.39 -48.18 73.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.433 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.922 HG23 ' O ' ' A' ' 30' ' ' ILE . 35.1 t -54.7 -69.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.698 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 21.2 t -48.29 -48.71 35.64 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -178.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.53 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -39.48 -46.3 2.73 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 118.949 -1.596 . . . . 0.0 109.149 178.327 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.9 t -91.86 -67.53 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 114.507 -0.847 . . . . 0.0 112.683 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.603 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.41 -74.98 0.34 Allowed 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -176.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.698 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 114.169 -1.378 . . . . 0.0 114.098 -176.088 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.857 0.36 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 26.7 t -95.73 -25.33 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.599 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.21 -33.81 24.05 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.467 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -79.58 -34.75 40.57 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.87 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 58.4 tp -76.42 -24.59 53.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.948 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -79.32 -40.3 30.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.129 0.49 . . . . 0.0 111.063 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 9.9 p -74.43 -26.98 20.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.316 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -24.13 61.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.84 -78.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.05 0.452 . . . . 0.0 111.202 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 4.8 ptp -51.55 -35.38 40.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.201 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -60.83 2.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.33 17.01 3.3 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.969 0.414 . . . . 0.0 111.378 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.553 0 CA-C-O 121.346 0.593 . . . . 0.0 110.286 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.881 ' O ' HG23 ' A' ' 34' ' ' VAL . 21.1 mt -60.48 -32.23 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.847 0.356 . . . . 0.0 110.916 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -65.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.678 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.44 -31.78 70.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.364 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.437 ' HB3' ' HA ' ' A' ' 30' ' ' ILE . 1.7 t80 -62.42 -44.64 95.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.279 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 30' ' ' ILE . 63.7 t -59.92 -75.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.753 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.677 ' HA ' ' N ' ' A' ' 39' ' ' SER . 10.9 p -47.45 -26.73 1.44 Allowed 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.21 -50.11 71.29 Favored Glycine 0 N--CA 1.441 -1.014 0 N-CA-C 108.128 -1.989 . . . . 0.0 108.128 176.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.8 t -91.53 -56.27 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 114.273 -0.963 . . . . 0.0 112.908 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.632 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -82.8 -74.35 0.36 Allowed 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -176.411 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.677 ' N ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 114.265 -1.334 . . . . 0.0 113.838 -175.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 28.9 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.949 0.404 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 26.3 t -95.54 -25.62 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.506 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' -14' ' ' LYS . . . . . 0.532 ' O ' HG23 ' A' ' -10' ' ' VAL . 0.0 OUTLIER -84.16 -30.33 25.93 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.295 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.94 -39.31 34.95 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.096 178.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' -12' ' ' LEU . . . . . 0.817 ' O ' HD23 ' A' ' -12' ' ' LEU . 4.8 tt -73.26 -26.32 61.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.837 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -67.63 -32.79 73.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.999 0.428 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' -10' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' -14' ' ' LYS . 29.9 t -74.54 -33.93 33.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.145 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -55.18 -24.45 26.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.288 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -56.21 -68.33 0.22 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.089 0.471 . . . . 0.0 111.091 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 6.7 ptm -68.98 -32.57 72.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' -6' ' ' LYS . . . . . 0.444 ' HG3' HG12 ' A' ' -10' ' ' VAL . 0.2 OUTLIER -54.01 -58.88 5.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.858 -179.814 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -85.24 17.34 3.1 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 111.417 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 6.5 tp . . . . . 0 C--N 1.322 -0.622 0 CA-C-O 121.429 0.633 . . . . 0.0 110.346 179.192 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.741 -0.144 . . . . 0.0 112.741 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.881 ' O ' HG23 ' A' ' 34' ' ' VAL . 33.2 mm -53.87 -40.41 44.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.747 0.308 . . . . 0.0 111.27 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -54.65 -38.9 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.026 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 m -72.52 -45.95 56.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.072 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -44.47 97.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 30' ' ' ILE . 44.7 t -54.66 -73.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.998 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.725 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 19.8 p -48.6 -53.69 17.46 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -178.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.89 -44.23 0.47 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 119.121 -1.514 . . . . 0.0 109.569 178.584 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 50.7 t -91.4 -71.33 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 114.534 -0.833 . . . . 0.0 111.974 177.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.33 -74.99 0.34 Allowed 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -177.576 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.725 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 114.185 -1.371 . . . . 0.0 114.172 -176.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 2.7 ttt . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.808 0.337 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -88.69 53.85 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -16' ' ' SER . . . . . 0.448 ' O ' HD23 ' A' ' -12' ' ' LEU . 0.3 OUTLIER -88.07 154.25 20.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 30.8 t -95.44 -23.82 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.694 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.55 -32.25 28.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -77.1 -40.91 44.17 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.05 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -12' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' -16' ' ' SER . 4.0 mm? -74.73 -21.37 59.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.961 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.59 -36.83 84.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.029 0.442 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 29.8 t -72.62 -48.62 45.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -60.35 -39.19 86.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.696 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -65.97 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -7' ' ' MET . . . . . 0.436 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 7.6 ptm -51.04 -31.64 19.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.032 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -6' ' ' LYS . . . . . 0.429 ' N ' ' HG3' ' A' ' -7' ' ' MET . 1.6 tttt -54.12 -65.16 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -85.42 17.73 3.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.711 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -4' ' ' LEU . . . . . 0.436 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.3 OUTLIER -89.51 -54.52 4.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.31 0.576 . . . . 0.0 110.572 179.501 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -20.63 63.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.027 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 117.37 -142.52 17.38 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -167.85 156.76 28.64 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.5 m -113.08 163.0 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 111.134 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -140.09 78.1 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 63.22 68.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.791 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.7 53.52 3.02 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.573 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -92.14 -18.31 23.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.678 0.275 . . . . 0.0 111.227 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.13 54.73 1.83 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.59 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 8' ' ' SER . 5.1 t -83.99 162.26 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.468 ' N ' HG12 ' A' ' 7' ' ' VAL . 57.7 m -133.54 178.65 6.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.096 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -78.93 117.04 19.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.763 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.485 ' C ' ' H ' ' A' ' 12' ' ' THR . 4.0 p -160.93 111.33 1.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.952 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.28 -14.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.485 ' H ' ' C ' ' A' ' 10' ' ' SER . 0.9 OUTLIER -152.01 164.34 37.41 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 120.687 0.28 . . . . 0.0 110.375 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.408 ' N ' ' CG2' ' A' ' 12' ' ' THR . 0.0 OUTLIER -53.25 147.71 9.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.982 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -104.14 50.29 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.783 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -131.78 147.74 52.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.832 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.434 HG12 ' N ' ' A' ' 17' ' ' ASN . 27.9 t -119.44 155.4 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.434 ' N ' HG12 ' A' ' 16' ' ' VAL . 28.6 t30 -106.72 62.29 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.625 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.403 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -77.19 9.85 2.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.154 -179.719 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.58 -66.39 0.49 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.063 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.93 -65.06 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' HA ' ' HB2' ' A' ' 24' ' ' GLU . . . -65.12 -3.0 3.22 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.357 0.599 . . . . 0.0 112.101 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 18' ' ' TRP . 2.7 t80 -72.05 -40.25 68.48 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 177.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -75.45 -22.01 57.66 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.317 -1.31 . . . . 0.0 109.237 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 15.2 mt-10 -65.91 -53.1 43.82 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.699 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.0 mtt85 -61.99 -28.68 69.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.09 -35.31 79.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.755 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.9 m -78.46 -47.21 17.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.75 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.49 -31.07 72.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.994 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.17 -55.91 9.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.468 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.762 ' O ' HG23 ' A' ' 34' ' ' VAL . 66.1 mt -59.22 -33.79 51.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.71 0.291 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -55.59 -56.08 24.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.653 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 t -62.18 -32.87 73.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.462 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -64.85 -41.32 95.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.748 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 30' ' ' ILE . 51.5 t -54.7 -74.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.739 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 12.1 p -48.54 -54.74 13.25 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.577 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.17 -43.9 0.35 Allowed Glycine 0 C--N 1.32 -0.338 0 C-N-CA 119.299 -1.429 . . . . 0.0 109.625 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.4 t -91.29 -71.58 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 CA-C-N 114.581 -0.809 . . . . 0.0 111.83 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.42 -75.15 0.34 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -177.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.739 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -62.73 5.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.184 -1.371 . . . . 0.0 114.173 -176.478 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -120.13 -50.95 0.28 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.613 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 53.78 38.82 29.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 111.122 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.23 32.05 1.9 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.596 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.41 ' O ' HG22 ' A' ' 44' ' ' ILE . 79.8 p -101.51 -22.18 14.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.661 0.267 . . . . 0.0 111.181 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 43' ' ' SER . 0.7 OUTLIER 43.12 45.87 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.722 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.23 29.65 7.84 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.1 ptt85 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.411 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.862 0.363 . . . . 0.0 111.252 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -88.1 84.24 6.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -16' ' ' SER . . . . . 0.457 ' O ' HD12 ' A' ' -12' ' ' LEU . 49.3 p -83.5 133.31 34.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 20.9 t -95.44 -26.0 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.494 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -14' ' ' LYS . . . . . 0.74 ' O ' HG23 ' A' ' -10' ' ' VAL . 0.0 OUTLIER -79.29 -36.65 39.38 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.121 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.72 -39.02 64.61 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.738 178.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' -12' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' -16' ' ' SER . 6.3 mt -66.85 -27.88 67.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.601 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.29 -27.2 59.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.946 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' -10' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' -14' ' ' LYS . 21.8 t -74.42 -34.21 35.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -60.39 -30.45 69.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -59.74 -68.58 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.131 0.491 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -55.24 -30.68 60.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.937 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -61.89 2.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.766 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -85.31 17.3 3.16 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.901 0.381 . . . . 0.0 111.325 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -4' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' -4' ' ' LEU . 0.4 OUTLIER -89.81 -45.44 9.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.336 0.589 . . . . 0.0 110.184 179.062 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -110.51 27.35 9.73 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -58.41 122.08 28.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.544 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 162.52 84.58 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.8 p -102.24 127.53 55.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.781 0.324 . . . . 0.0 111.073 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -161.92 37.59 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -177.9 39.68 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.675 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.76 47.86 0.38 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.538 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.08 -20.84 13.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.75 0.31 . . . . 0.0 111.163 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.23 57.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.531 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 8' ' ' SER . 5.8 t -74.25 162.27 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.792 0.329 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.47 ' N ' HG12 ' A' ' 7' ' ' VAL . 1.6 t 51.99 -179.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.223 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.409 ' N ' ' HB3' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -76.05 126.93 31.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.488 ' C ' ' H ' ' A' ' 12' ' ' THR . 4.1 p -168.57 108.67 0.5 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.706 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tptm 62.96 -8.5 0.12 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.364 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.488 ' H ' ' C ' ' A' ' 10' ' ' SER . 0.9 OUTLIER -152.38 164.48 37.41 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.728 0.299 . . . . 0.0 110.376 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 141.28 55.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.654 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.409 ' HB3' ' N ' ' A' ' 9' ' ' CYS . 1.2 p -98.16 50.94 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.977 0.417 . . . . 0.0 110.792 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.4 p -131.79 90.54 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.835 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.497 HG22 ' N ' ' A' ' 17' ' ' ASN . 11.8 p -58.6 159.55 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.255 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.497 ' N ' HG22 ' A' ' 16' ' ' VAL . 4.2 m120 -137.51 77.5 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.672 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.404 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 1.2 m95 -77.07 4.39 10.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.969 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.48 ' O ' ' HB3' ' A' ' 22' ' ' PHE . . . -114.93 -60.72 0.37 Allowed Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.927 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -56.53 -64.59 0.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.821 -0.223 . . . . 0.0 110.495 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . . . -65.19 -3.98 4.53 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 120.395 -0.522 . . . . 0.0 112.256 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.48 ' HB3' ' O ' ' A' ' 19' ' ' GLY . 34.2 t80 -70.85 -42.19 70.45 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -73.2 -22.74 60.39 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.166 177.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.427 ' CG ' ' HA ' ' A' ' 21' ' ' ALA . 72.9 mm-40 -70.7 -48.53 54.24 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.984 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -55.07 -28.59 53.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.163 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.41 -48.8 74.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.414 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.6 m -78.14 -40.16 38.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.68 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.83 -35.83 77.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.073 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.04 -56.84 12.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.391 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.547 ' O ' HG23 ' A' ' 34' ' ' VAL . 45.8 mt -60.0 -27.78 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 110.98 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -55.43 -66.39 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.829 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.43 -31.77 64.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.488 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.406 ' HD2' HG23 ' A' ' 30' ' ' ILE . 1.3 t80 -63.12 -59.19 5.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.266 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 30' ' ' ILE . 64.5 t -54.66 -74.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.708 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.73 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -48.75 -52.86 21.5 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.92 -43.53 0.43 Allowed Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 178.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.0 t -91.43 -72.56 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-N 114.457 -0.871 . . . . 0.0 111.906 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.41 -75.24 0.33 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -177.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.73 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 1.7 t -62.78 6.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.0 -1.454 . . . . 0.0 114.309 -176.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -140.34 -67.69 0.04 OUTLIER Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.516 -0.85 . . . . 0.0 112.513 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 56.48 54.95 6.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 111.207 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.91 72.9 1.28 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.598 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.486 ' O ' HG22 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -109.17 58.79 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.729 0.3 . . . . 0.0 110.88 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.486 HG22 ' O ' ' A' ' 43' ' ' SER . 5.7 tp 44.24 39.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.151 0.5 . . . . 0.0 111.492 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.62 -125.53 5.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.889 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 8.1 mmt . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.853 0.358 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -88.75 54.9 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -16' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' -12' ' ' LEU . 17.2 t -75.19 134.34 41.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.074 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 19.0 t -95.5 -24.55 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.561 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.7 -30.44 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 178.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -13' ' ' GLU . . . . . 0.559 ' O ' HG12 ' A' ' -10' ' ' VAL . 30.7 tt0 -77.57 -41.18 39.78 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.049 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -12' ' ' LEU . . . . . 0.427 ' O ' HD13 ' A' ' -12' ' ' LEU . 0.1 OUTLIER -72.82 -24.02 60.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.934 179.443 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -36.37 57.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.079 0.466 . . . . 0.0 110.963 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -10' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' -13' ' ' GLU . 9.6 p -74.39 -30.23 25.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.101 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -64.04 -40.64 96.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.17 -44.1 95.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.101 0.476 . . . . 0.0 111.025 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -7' ' ' MET . . . . . 0.462 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 6.6 ptm -73.75 -30.11 62.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.998 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -6' ' ' LYS . . . . . 0.497 ' NZ ' HG22 ' A' ' -10' ' ' VAL . 0.1 OUTLIER -54.78 -58.98 5.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.356 -179.731 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -85.03 16.69 3.29 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.932 0.396 . . . . 0.0 111.498 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -4' ' ' LEU . . . . . 0.462 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.4 OUTLIER -90.43 -71.99 0.59 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.456 0.646 . . . . 0.0 109.896 178.499 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 45.37 31.0 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.135 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -148.68 -174.23 20.15 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.432 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' GLY . . . . . 0.507 ' O ' HG22 ' A' ' 1' ' ' VAL . . . -108.74 161.93 13.07 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.366 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' -1' ' ' GLY . 21.1 m 44.97 -169.41 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 120.748 0.308 . . . . 0.0 111.611 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -131.72 73.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.939 0.399 . . . . 0.0 110.697 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 64.95 40.37 5.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.779 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.83 -47.29 1.06 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.462 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 63.84 5.64 2.39 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 58.33 42.44 95.58 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.58 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.697 HG13 ' N ' ' A' ' 8' ' ' SER . 1.0 OUTLIER -101.57 -160.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.758 0.313 . . . . 0.0 110.855 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.697 ' N ' HG13 ' A' ' 7' ' ' VAL . 2.0 m -152.65 130.73 11.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.8 m -119.57 114.95 23.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.929 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.8 m -156.72 116.49 3.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 tttm 62.89 3.59 1.25 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.152 -0.477 . . . . 0.0 112.204 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.43 ' CG2' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -152.06 165.77 33.69 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.357 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.43 ' N ' ' CG2' ' A' ' 12' ' ' THR . 0.1 OUTLIER -52.06 178.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.73 0.3 . . . . 0.0 110.642 179.681 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.7 m -94.88 33.5 1.48 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.819 0.342 . . . . 0.0 111.038 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.7 t -161.92 78.09 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.69 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.3 p -53.47 142.23 6.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.326 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.464 ' HB2' ' CB ' ' A' ' 21' ' ' ALA . 53.3 p30 179.71 39.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.821 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -77.01 -38.72 52.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.517 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.402 ' O ' ' CB ' ' A' ' 22' ' ' PHE . . . -102.23 -49.86 1.19 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.165 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -54.83 -61.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 17' ' ' ASN . . . -65.52 -4.81 6.47 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.344 0.592 . . . . 0.0 112.166 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 5.3 t80 -70.26 -40.7 74.24 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 177.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -21.93 54.32 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.255 177.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.457 ' CG ' ' HA ' ' A' ' 21' ' ' ALA . 6.3 mm-40 -67.07 -52.2 44.96 Favored 'General case' 0 C--N 1.338 0.103 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.933 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -55.54 -28.68 56.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.239 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -69.94 -45.52 67.29 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.61 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.7 m -78.15 -34.78 49.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.814 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.76 -33.61 76.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.985 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.72 -54.01 6.9 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.448 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.598 ' O ' HG23 ' A' ' 34' ' ' VAL . 34.5 mt -63.27 -29.97 48.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 111.044 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.46 -56.43 21.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.777 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.3 t -61.18 -32.87 72.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.622 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -63.45 -54.32 38.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.784 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 30' ' ' ILE . 48.1 t -54.78 -73.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.993 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.729 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 48.1 t -48.21 -55.98 9.09 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.558 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.31 -44.29 0.4 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 119.273 -1.441 . . . . 0.0 109.758 178.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.6 t -91.47 -70.54 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 CA-C-N 114.628 -0.786 . . . . 0.0 112.102 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.47 -75.1 0.34 Allowed 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -177.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.729 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -63.91 9.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.101 -1.409 . . . . 0.0 113.986 -176.575 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -144.09 -66.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.544 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 56.43 30.53 17.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.785 0.326 . . . . 0.0 111.188 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.23 57.9 16.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.574 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 p -74.96 -26.32 59.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.373 . . . . 0.0 111.012 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.531 ' O ' HG23 ' A' ' 44' ' ' ILE . 1.4 tp -163.84 51.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.161 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 123.18 -77.78 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.486 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.89 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 120.939 0.4 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -88.75 80.63 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 2.5 p -89.11 141.72 28.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.979 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 16.2 t -95.76 -23.14 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.73 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -14' ' ' LYS . . . . . 0.651 ' O ' HG23 ' A' ' -10' ' ' VAL . 4.8 ttpt -84.66 -35.31 22.71 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -79.03 -35.74 42.2 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.913 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 3.2 tp -76.8 -23.67 52.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.785 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -74.22 -24.67 59.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.032 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -10' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' -14' ' ' LYS . 18.4 t -74.38 -47.54 39.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.405 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -37.16 45.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.161 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.55 -74.3 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.971 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 15.5 ptm -55.42 -24.34 29.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.118 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -6' ' ' LYS . . . . . 0.619 ' HE2' HG12 ' A' ' -10' ' ' VAL . 0.3 OUTLIER -54.12 -57.26 11.79 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.821 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -85.34 16.86 3.4 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.914 0.388 . . . . 0.0 111.215 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 23.4 tp -90.17 -71.84 0.6 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.365 0.602 . . . . 0.0 109.963 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 45.42 30.89 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.145 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 132.22 -169.19 22.28 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.562 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -88.52 106.05 3.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.512 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.2 p -143.35 143.94 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.811 0.339 . . . . 0.0 111.094 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -152.39 59.08 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 60.26 79.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.38 -102.33 1.87 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -104.5 -20.93 13.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.765 0.317 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.63 45.25 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.574 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.715 HG13 ' N ' ' A' ' 8' ' ' SER . 0.5 OUTLIER 41.09 -161.63 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-O 120.833 0.349 . . . . 0.0 111.749 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.715 ' N ' HG13 ' A' ' 7' ' ' VAL . 4.9 m -139.66 119.26 13.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.463 ' HB3' ' HA ' ' A' ' 14' ' ' CYS . 1.2 p -48.64 173.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.422 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 p -166.82 111.08 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.586 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 60.32 6.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.008 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -151.97 165.48 34.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.456 -179.817 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.415 ' N ' ' CG2' ' A' ' 12' ' ' THR . 0.1 OUTLIER -53.26 153.34 3.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.84 0.352 . . . . 0.0 111.086 179.863 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.463 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -99.96 37.24 1.67 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.792 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.64 149.01 40.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.184 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.488 HG22 ' N ' ' A' ' 17' ' ' ASN . 11.6 p -94.75 160.1 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.971 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.488 ' N ' HG22 ' A' ' 16' ' ' VAL . 1.5 t-20 -179.37 98.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.778 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.423 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 1.3 t90 -73.47 -2.65 23.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.809 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.511 ' O ' ' HB3' ' A' ' 22' ' ' PHE . . . -114.87 -51.7 0.44 Allowed Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.853 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -59.14 -66.55 0.49 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' HA ' ' HB2' ' A' ' 24' ' ' GLU . . . -65.29 -3.09 3.6 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.511 ' HB3' ' O ' ' A' ' 19' ' ' GLY . 80.8 t80 -72.68 -41.45 65.32 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 177.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.63 -22.5 59.98 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.358 -1.292 . . . . 0.0 109.097 177.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.425 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 7.5 mm-40 -67.77 -35.85 79.44 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.822 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.8 mtm-85 -54.24 -28.2 39.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.168 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -64.55 -49.09 72.6 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.342 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.2 m -69.62 -39.41 77.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.603 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.46 -33.36 75.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.951 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.78 -50.17 55.04 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.285 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.456 ' O ' HG23 ' A' ' 34' ' ' VAL . 28.3 mt -59.83 -30.57 45.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.738 0.304 . . . . 0.0 110.82 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -56.76 -52.25 65.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.543 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.6 t -60.7 -33.27 72.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.193 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -56.03 23.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.28 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 38' ' ' ALA . 24.1 t -54.78 -70.62 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.624 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.729 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 18.8 p -48.72 -53.64 18.08 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.575 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.55 -44.63 0.45 Allowed Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 178.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.9 t -91.41 -70.88 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 114.51 -0.845 . . . . 0.0 111.961 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.31 -75.26 0.33 Allowed 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -177.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.729 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -63.2 6.76 0.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.208 -1.36 . . . . 0.0 114.21 -176.515 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -116.04 37.9 3.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.541 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.13 -82.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.945 0.402 . . . . 0.0 111.186 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.24 -38.56 3.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.488 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.424 ' O ' HG22 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -94.35 45.61 1.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.758 0.313 . . . . 0.0 110.848 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 43' ' ' SER . 0.8 OUTLIER 43.33 45.32 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.614 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.89 -92.62 1.25 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.856 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 120.85 0.357 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -89.64 94.05 9.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.73 106.17 18.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.787 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.75 -23.35 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.47 -36.73 23.93 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -77.36 -36.17 53.92 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.681 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 36.2 tp -72.85 -26.12 61.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.618 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.42 -26.25 66.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.961 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 25.9 t -72.63 -50.19 35.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -59.37 -39.25 82.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.76 -70.69 0.17 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.783 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -52.2 -28.78 19.62 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.04 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -53.95 -65.85 0.5 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.42 17.78 3.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.613 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.49 -53.11 4.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.36 0.6 . . . . 0.0 110.618 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -3' ' ' HIS . . . . . 0.421 ' O ' HG13 ' A' ' 1' ' ' VAL . 12.9 m-70 -66.04 -21.96 66.41 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.169 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -78.68 113.67 3.74 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.475 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 85.29 43.75 6.49 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.566 ' O ' HG23 ' A' ' 1' ' ' VAL . 17.6 m -58.43 100.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.381 . . . . 0.0 111.224 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -159.74 38.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -176.69 38.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.22 -96.02 1.96 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.437 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.72 -87.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.694 0.283 . . . . 0.0 111.15 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.62 64.08 4.53 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.619 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 8' ' ' SER . 4.9 t -92.3 161.59 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 111.143 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.458 ' N ' HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -160.82 160.4 31.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.802 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.8 t -127.88 164.42 22.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.642 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m 63.18 19.03 11.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.262 0.553 . . . . 0.0 110.82 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -160.09 -35.44 0.06 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.803 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -150.51 167.23 27.79 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.871 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.44 ' N ' ' CG2' ' A' ' 12' ' ' THR . 0.0 OUTLIER -30.25 121.87 0.18 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.866 0.365 . . . . 0.0 111.984 -179.558 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.6 m -90.88 39.54 0.99 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.164 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.21 154.16 51.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.575 ' O ' HG22 ' A' ' 16' ' ' VAL . 11.8 p -93.7 49.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.205 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 70.96 98.5 0.07 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -7.83 49.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.472 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.413 ' O ' ' CB ' ' A' ' 22' ' ' PHE . . . -52.93 -52.14 41.23 Favored Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.084 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -54.62 -55.69 26.83 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' A' ' 24' ' ' GLU . . . -65.54 -5.97 9.55 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.376 0.608 . . . . 0.0 112.313 178.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.413 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 12.5 t80 -71.94 -41.55 67.69 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 177.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.78 -22.99 58.45 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.54 -1.209 . . . . 0.0 108.914 177.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.483 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 3.4 mm-40 -60.37 -42.91 96.78 Favored 'General case' 0 C--N 1.339 0.152 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.162 179.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -69.75 -30.73 68.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.8 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -64.8 -43.08 94.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.606 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.1 m -60.46 -37.73 81.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.718 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.82 85.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.45 -39.2 94.02 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.6 mm -60.88 -39.46 82.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.855 0.36 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.27 -46.71 87.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.759 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -33.44 72.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.773 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -63.49 -48.65 76.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.965 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.545 ' O ' ' N ' ' A' ' 38' ' ' ALA . 41.7 t -54.68 -74.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.018 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.747 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 30.2 t -48.42 -56.26 8.67 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.55 -44.27 0.29 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 119.349 -1.405 . . . . 0.0 109.714 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' SER . 47.8 t -91.35 -71.09 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 CA-C-N 114.619 -0.79 . . . . 0.0 112.106 177.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.34 -74.82 0.35 Allowed 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -177.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.747 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -65.27 12.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.169 -1.378 . . . . 0.0 114.027 -176.564 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -119.87 40.01 2.32 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.443 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.46 -83.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.89 0.376 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.4 -96.66 0.1 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.629 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.37 -38.66 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.961 0.41 . . . . 0.0 111.162 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 44' ' ' ILE . 4.4 mp 52.25 74.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.238 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.36 61.39 0.66 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.898 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 1.4 mtt . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.857 0.361 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -88.83 66.54 8.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -16' ' ' SER . . . . . 0.687 ' O ' HD13 ' A' ' -12' ' ' LEU . 44.3 m -74.76 127.57 33.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 28.3 t -95.54 -23.42 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.698 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -14' ' ' LYS . . . . . 0.464 ' O ' HG23 ' A' ' -10' ' ' VAL . 0.0 OUTLIER -80.94 -35.75 31.85 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.307 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.42 -39.49 58.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.816 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -12' ' ' LEU . . . . . 0.687 HD13 ' O ' ' A' ' -16' ' ' SER . 7.2 mp -69.55 -25.75 64.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.708 179.401 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -34.09 74.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.028 0.442 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' -10' ' ' VAL . . . . . 0.772 HG12 ' HD2' ' A' ' -6' ' ' LYS . 21.5 t -74.54 -55.2 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -30.37 66.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.931 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.38 -80.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.049 0.452 . . . . 0.0 111.051 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -24.92 30.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.195 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' -6' ' ' LYS . . . . . 0.772 ' HD2' HG12 ' A' ' -10' ' ' VAL . 3.5 mttp -53.91 -67.21 0.28 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -85.32 17.9 2.9 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.553 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 2.5 tt -89.3 -64.37 1.15 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.326 0.584 . . . . 0.0 110.757 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -70.33 -21.6 62.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.198 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -143.1 122.37 1.89 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.547 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -100.23 30.49 10.05 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.552 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.1 t -118.99 107.35 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.317 . . . . 0.0 111.073 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -136.16 66.94 1.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 60.01 40.19 19.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.25 21.3 7.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.664 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -112.69 -20.12 11.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.783 0.325 . . . . 0.0 111.209 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 146.3 53.49 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.38 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.722 HG13 ' N ' ' A' ' 8' ' ' SER . 0.5 OUTLIER 41.25 -162.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-O 120.876 0.369 . . . . 0.0 111.786 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.722 ' N ' HG13 ' A' ' 7' ' ' VAL . 24.3 m -143.44 148.27 35.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.809 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.0 m -63.71 119.95 10.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.016 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 p -178.87 113.79 0.06 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.574 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.49 11.65 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.794 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -149.8 -7.55 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 14' ' ' CYS . 0.6 OUTLIER 54.5 25.67 6.43 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 121.32 0.581 . . . . 0.0 111.542 179.458 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 87.3 m 67.84 96.4 0.06 Allowed 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.95 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.6 p -142.38 144.08 32.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.805 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.594 ' O ' HG22 ' A' ' 16' ' ' VAL . 14.9 p -96.17 41.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.019 0.438 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m120 65.18 51.14 1.69 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.711 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.9 t90 -61.69 -22.14 65.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.148 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.63 -49.7 0.78 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.121 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -54.81 -63.6 1.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.437 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . . . -65.26 -3.82 4.49 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.292 0.568 . . . . 0.0 112.106 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -72.18 -39.61 68.53 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 177.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -77.64 -21.65 51.91 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.357 -1.292 . . . . 0.0 109.207 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.437 ' CG ' ' HA ' ' A' ' 21' ' ' ALA . 36.2 mt-10 -64.87 -42.9 94.45 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.694 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -66.16 -31.68 72.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.119 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -65.67 -47.32 75.88 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.594 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.1 m -61.72 -33.42 74.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.738 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.73 -38.53 91.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.064 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.0 -48.06 21.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.561 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.882 ' O ' HG23 ' A' ' 34' ' ' VAL . 43.5 mt -57.96 -30.08 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.784 0.326 . . . . 0.0 111.058 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -50.4 -64.96 0.65 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.987 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 m -57.88 -32.81 68.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.434 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.449 ' CD2' HG23 ' A' ' 30' ' ' ILE . 0.5 OUTLIER -67.11 -35.14 79.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.449 179.631 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 30' ' ' ILE . 48.8 t -54.7 -71.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.742 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.737 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -48.81 -52.56 23.33 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -179.089 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.57 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.84 -44.12 0.46 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 178.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.4 t -91.46 -72.18 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.912 0 CA-C-N 114.502 -0.849 . . . . 0.0 111.942 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.43 -75.36 0.33 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -177.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.737 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 1.7 t -62.98 7.31 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.037 -1.438 . . . . 0.0 114.287 -176.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -121.93 -35.3 0.78 Allowed Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.559 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -168.07 54.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 111.084 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.67 59.1 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 m -103.67 60.05 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.571 HG22 ' O ' ' A' ' 44' ' ' ILE . 4.1 mp 46.9 68.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.295 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.26 -29.71 2.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.93 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 2.2 mpp? . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.844 0.354 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -88.93 57.58 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.68 103.54 16.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.77 -23.31 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.765 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -14' ' ' LYS . . . . . 0.523 ' O ' HG23 ' A' ' -10' ' ' VAL . 12.3 tppt? -85.72 -33.87 21.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -80.59 -33.93 35.63 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.946 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 4.1 tp -79.35 -23.84 43.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.807 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -70.16 -32.56 70.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -10' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' -14' ' ' LYS . 25.9 t -74.52 -49.76 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -42.25 75.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.005 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -72.66 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.224 0.535 . . . . 0.0 110.931 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 1.9 ptm -54.66 -24.35 21.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.9 -67.74 0.24 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -85.34 17.89 2.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.623 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.31 -63.33 1.31 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.263 0.554 . . . . 0.0 110.624 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -65.82 -19.34 65.85 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -56.72 116.37 7.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.512 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 73.49 161.3 6.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 31.5 m -80.14 -179.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.734 0.302 . . . . 0.0 111.079 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -131.74 49.72 2.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.434 ' HA ' ' CZ3' ' A' ' 18' ' ' TRP . 5.2 m-85 60.77 79.06 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.958 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.38 -107.78 0.98 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.527 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -119.74 -22.04 7.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.661 0.267 . . . . 0.0 111.401 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 59.39 49.68 75.92 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.688 HG12 ' H ' ' A' ' 8' ' ' SER . 1.1 t -92.55 -164.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.495 -0.187 . . . . 0.0 110.495 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.688 ' H ' HG12 ' A' ' 7' ' ' VAL . 1.5 t 54.82 173.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.802 0.334 . . . . 0.0 111.274 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.5 m -107.87 114.62 28.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.5 p -160.51 112.31 1.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.831 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt 61.65 1.81 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.26 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.3 t -151.79 -179.92 7.87 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.777 0.323 . . . . 0.0 111.132 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 170.55 9.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.709 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.8 m -98.41 30.92 3.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.879 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.1 t -155.89 38.89 0.37 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.717 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.494 HG22 ' N ' ' A' ' 17' ' ' ASN . 10.9 p -68.4 158.86 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.494 ' N ' HG22 ' A' ' 16' ' ' VAL . 5.5 m120 -97.14 38.54 1.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.434 ' CZ3' ' HA ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -69.54 -20.22 63.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.996 179.874 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.01 -47.33 0.96 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.925 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -54.7 -62.79 1.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.564 ' HA ' ' HB3' ' A' ' 24' ' ' GLU . . . -65.07 -6.96 10.12 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.464 0.649 . . . . 0.0 112.101 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -67.91 -38.59 83.14 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 177.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -80.64 -25.81 38.11 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 114.266 -1.334 . . . . 0.0 109.647 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.564 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . 1.0 OUTLIER -69.87 -46.3 65.81 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.931 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -65.12 -31.11 72.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.722 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -67.75 -44.07 78.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.567 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.4 m -66.19 -37.08 84.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.698 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.28 80.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.019 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.94 -54.5 6.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.531 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.901 ' O ' HG23 ' A' ' 34' ' ' VAL . 44.9 mt -59.67 -34.34 54.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 111.088 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.86 -66.59 0.36 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.775 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 m -58.48 -30.72 67.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.371 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.441 ' HB3' ' HA ' ' A' ' 30' ' ' ILE . 2.1 t80 -65.58 -44.63 86.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.429 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 30' ' ' ILE . 50.5 t -54.74 -74.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.737 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -48.63 -53.75 17.34 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -178.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.559 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.83 -43.81 0.44 Allowed Glycine 0 C--N 1.318 -0.425 0 C-N-CA 119.19 -1.481 . . . . 0.0 109.537 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.1 t -91.47 -71.97 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.914 0 CA-C-N 114.57 -0.815 . . . . 0.0 111.949 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.34 -75.43 0.32 Allowed 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -177.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.737 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -63.43 9.2 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.055 -1.429 . . . . 0.0 114.226 -176.551 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -151.38 57.19 0.44 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.463 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.51 70.07 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 111.213 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.76 92.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.612 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.4 t -76.37 -65.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.171 0.51 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.573 HG22 ' O ' ' A' ' 44' ' ' ILE . 24.3 mm -107.65 40.61 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.78 -94.6 0.73 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.949 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 2.0 mmm . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.794 0.33 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -90.36 45.57 1.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.221 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 1.9 m -92.83 121.97 34.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.96 0.41 . . . . 0.0 110.997 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.62 -22.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.715 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -86.95 -31.6 20.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -81.8 -34.65 30.17 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.064 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -12' ' ' LEU . . . . . 0.461 ' O ' HD23 ' A' ' -12' ' ' LEU . 6.9 tt -80.25 -24.47 40.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.167 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -87.2 -30.65 20.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.967 0.413 . . . . 0.0 111.068 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -10' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' -9' ' ' LYS . 12.0 p -74.5 -41.32 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' -9' ' ' LYS . . . . . 0.41 ' N ' HG13 ' A' ' -10' ' ' VAL . 1.2 mptt -57.92 -39.97 79.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.94 -70.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.106 0.479 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 9.7 ptm -52.89 -37.91 61.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.91 -59.23 5.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.766 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.31 16.73 3.47 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.932 0.396 . . . . 0.0 111.293 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 1.6 tp -90.19 -72.99 0.54 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.317 0.58 . . . . 0.0 109.957 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 45.75 31.36 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.086 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 115.48 -111.8 2.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.487 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -108.4 162.67 12.94 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.446 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.7 m -82.28 120.09 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 111.067 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -161.73 39.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -178.22 39.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.27 55.44 0.72 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.621 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.432 ' HB2' HG23 ' A' ' 7' ' ' VAL . 5.2 p30 -80.91 -34.01 33.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.074 0.464 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.1 41.91 96.84 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.484 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.544 HG11 ' ND2' ' A' ' 17' ' ' ASN . 6.0 t -108.9 162.13 6.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.851 0.357 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.467 ' N ' HG12 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -113.08 158.2 20.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.024 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -92.01 132.97 36.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.968 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 p -162.61 110.02 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.068 0.461 . . . . 0.0 111.046 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt 59.65 2.78 0.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.446 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.3 t -151.67 -169.61 3.42 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 111.208 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -73.78 -177.03 2.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.06 38.02 2.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.63 137.92 21.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.245 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' ' 16' ' ' VAL . 13.4 p 28.18 100.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.544 ' ND2' HG11 ' A' ' 7' ' ' VAL . 69.7 m-80 -88.75 55.28 3.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.488 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.37 -23.04 8.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.509 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 22' ' ' PHE . . . -101.26 -50.25 1.24 Allowed Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.155 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.57 -61.11 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.47 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.529 ' HA ' ' HB3' ' A' ' 24' ' ' GLU . . . -65.16 -6.28 8.84 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.258 0.551 . . . . 0.0 112.064 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 2.5 t80 -68.34 -39.81 81.79 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 177.202 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -26.34 51.84 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.21 -1.359 . . . . 0.0 109.203 177.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.529 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . 1.4 pt-20 -77.46 -32.43 54.45 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.908 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.516 ' HG3' ' N ' ' A' ' 26' ' ' TYR . 6.2 ptm180 -72.71 -35.06 67.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.187 0.517 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.516 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -65.54 -32.43 74.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.878 -179.831 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.0 m -76.54 -36.61 57.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.12 79.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.56 -58.73 8.75 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.54 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.91 ' O ' HG23 ' A' ' 34' ' ' VAL . 55.2 mt -56.73 -27.1 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.72 0.295 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.91 -66.54 0.37 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 m -57.41 -33.1 67.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.523 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.477 ' CD2' HG23 ' A' ' 30' ' ' ILE . 0.5 OUTLIER -64.34 -44.37 91.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.542 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 30' ' ' ILE . 48.1 t -54.56 -73.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.734 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -48.67 -55.97 9.82 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.576 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.49 -44.04 0.27 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 119.361 -1.399 . . . . 0.0 109.683 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' SER . 51.8 t -91.13 -71.57 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.932 0 CA-C-N 114.612 -0.794 . . . . 0.0 111.895 177.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.52 -74.83 0.35 Allowed 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 114.652 1.352 . . . . 0.0 114.652 -177.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.734 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -62.55 3.19 0.22 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.075 -1.42 . . . . 0.0 114.148 -176.359 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -104.12 -27.27 6.29 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.394 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -168.55 -81.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.94 0.4 . . . . 0.0 111.185 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.23 79.26 0.71 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.584 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.57 31.44 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.917 0.389 . . . . 0.0 110.888 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 44' ' ' ILE . 26.9 mm -121.09 40.41 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.81 -101.71 0.91 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.466 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.933 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.86 0.362 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -88.65 110.76 21.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.37 68.69 9.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.039 0.447 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 40.6 t -95.69 -25.18 4.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.642 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -14' ' ' LYS . . . . . 0.553 ' O ' HG23 ' A' ' -10' ' ' VAL . 0.5 OUTLIER -84.23 -33.6 24.07 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.413 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.83 -36.9 41.85 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.879 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 8.4 tt -75.84 -24.26 55.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.712 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.07 -25.24 61.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.988 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -10' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' -14' ' ' LYS . 21.5 t -72.02 -45.45 63.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -61.23 -28.47 69.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -60.08 -45.77 91.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.099 0.476 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -7' ' ' MET . . . . . 0.457 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 2.6 ptm -76.31 -28.16 56.84 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -6' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' -7' ' ' MET . 0.5 OUTLIER -54.19 -53.78 48.76 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.148 -179.832 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -85.06 16.51 3.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.961 0.41 . . . . 0.0 111.328 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -4' ' ' LEU . . . . . 0.457 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.1 OUTLIER -90.48 -67.54 0.84 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.515 0.674 . . . . 0.0 109.895 178.397 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' -3' ' ' HIS . . . . . 0.428 ' CG ' ' O ' ' A' ' -4' ' ' LEU . 30.7 p80 46.06 32.96 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.189 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -98.66 92.78 1.25 Allowed Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -83.6 98.35 2.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.593 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.521 ' O ' HG23 ' A' ' 1' ' ' VAL . 13.4 m -154.01 94.86 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.751 0.31 . . . . 0.0 111.106 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -134.51 74.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 60.45 78.55 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.72 39.51 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -71.17 -20.23 62.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.736 0.303 . . . . 0.0 111.2 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.95 80.97 0.9 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.675 HG13 ' N ' ' A' ' 8' ' ' SER . 1.0 OUTLIER -59.56 -161.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 0.0 111.012 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.675 ' N ' HG13 ' A' ' 7' ' ' VAL . 2.3 m -67.75 -165.05 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 50.88 -153.04 0.17 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.053 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 75.81 18.73 2.07 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.116 0.484 . . . . 0.0 111.249 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.96 -40.46 0.14 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.648 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.8 t -151.01 -154.31 0.54 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.972 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.65 148.97 18.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.628 0.251 . . . . 0.0 110.602 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.1 m -90.79 20.85 4.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.25 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 p -161.84 72.97 0.4 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.865 0.364 . . . . 0.0 110.719 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.33 131.81 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.24 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -176.57 95.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.64 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.6 m-90 -61.1 -18.49 58.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.495 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.48 -52.67 0.66 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.194 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.71 -63.67 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.489 ' HA ' ' HB2' ' A' ' 24' ' ' GLU . . . -65.06 -6.49 8.97 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.266 0.555 . . . . 0.0 112.115 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -67.9 -40.28 83.47 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 177.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -77.63 -24.51 49.5 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.187 -1.37 . . . . 0.0 109.186 177.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.489 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 9.3 mm-40 -76.58 -40.19 50.36 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.206 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -54.0 -30.3 46.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -67.66 -50.31 58.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.494 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.4 m -71.49 -33.38 69.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.572 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.13 -34.62 78.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.53 -49.53 30.55 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.352 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.724 ' O ' HG23 ' A' ' 34' ' ' VAL . 18.7 mt -61.44 -35.08 64.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.857 0.36 . . . . 0.0 110.988 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -56.27 -60.83 2.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 p -60.51 -33.93 73.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.106 0.479 . . . . 0.0 110.168 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.406 ' HB3' ' HA ' ' A' ' 30' ' ' ILE . 1.2 t80 -60.36 -55.65 31.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.26 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 30' ' ' ILE . 47.3 t -54.72 -71.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.755 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.727 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 10.2 t -48.11 -57.14 6.25 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.561 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.9 -45.14 0.38 Allowed Glycine 0 C--N 1.319 -0.416 0 C-N-CA 119.266 -1.445 . . . . 0.0 109.823 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -91.42 -69.11 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 CA-C-N 114.704 -0.748 . . . . 0.0 112.229 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.592 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.53 -74.96 0.35 Allowed 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -177.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.727 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -62.55 4.76 0.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.154 -1.385 . . . . 0.0 114.072 -176.427 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -54.72 -38.69 64.77 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.62 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 56.6 35.33 25.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.782 0.325 . . . . 0.0 111.25 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.48 -47.35 2.58 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.504 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 t 49.48 55.82 8.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.838 0.351 . . . . 0.0 111.202 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 44' ' ' ILE . 5.3 mp 46.41 71.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.409 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.94 -30.01 76.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.529 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.829 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.887 0.375 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -88.57 100.77 13.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -16' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' -12' ' ' LEU . 57.7 m -74.16 138.85 44.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.1 t -95.53 -22.9 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.654 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -14' ' ' LYS . . . . . 0.685 ' O ' HG23 ' A' ' -10' ' ' VAL . 0.9 OUTLIER -81.2 -32.12 33.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.172 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -76.53 -42.51 42.83 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.851 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -12' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' -16' ' ' SER . 1.0 OUTLIER -70.55 -24.66 62.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.625 179.315 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -72.08 -29.62 64.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -10' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' -14' ' ' LYS . 30.2 t -74.5 -43.33 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.019 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -59.05 -33.41 70.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.81 -68.21 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.084 0.469 . . . . 0.0 110.95 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -7' ' ' MET . . . . . 0.404 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 3.9 ptm -60.18 -26.91 66.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.946 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -64.91 0.67 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.23 17.73 2.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 111.625 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' -4' ' ' LEU . . . . . 0.404 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.9 OUTLIER -89.44 -61.1 1.77 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.325 0.583 . . . . 0.0 110.638 179.527 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -69.36 -22.07 63.76 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.142 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 99.01 -71.52 0.55 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 121.06 43.34 0.44 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.8 m -148.95 160.6 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 111.185 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -161.76 87.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.522 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.7 t80 61.15 -142.23 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.365 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.0 -8.38 70.47 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.048 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -156.51 -43.42 0.07 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.068 0.461 . . . . 0.0 111.073 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 163.12 57.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.437 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.71 HG13 ' N ' ' A' ' 8' ' ' SER . 0.5 OUTLIER 41.1 -161.66 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-O 120.787 0.327 . . . . 0.0 111.785 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.71 ' N ' HG13 ' A' ' 7' ' ' VAL . 12.5 m -144.13 140.95 29.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.66 126.31 30.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.7 m -154.46 111.63 3.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.053 0.454 . . . . 0.0 111.064 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 60.43 0.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.508 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -152.26 163.05 40.21 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.75 0.31 . . . . 0.0 110.6 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.11 169.51 0.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.559 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.5 m -87.81 53.27 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 110.92 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.2 p -161.9 168.61 22.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 17' ' ' ASN . 15.0 t -78.32 160.86 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.49 ' N ' HG12 ' A' ' 16' ' ' VAL . 15.3 p-10 -87.26 53.64 2.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.85 -8.15 52.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.516 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.3 -49.95 0.55 Allowed Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -54.57 -65.14 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.559 ' HA ' ' HB3' ' A' ' 24' ' ' GLU . . . -64.97 -6.33 8.28 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.416 0.626 . . . . 0.0 112.103 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -69.78 -35.83 75.22 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -80.13 -21.62 42.99 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.565 177.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.559 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -66.86 -35.42 79.98 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.705 179.777 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.478 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 23.4 mtt180 -71.05 -30.32 66.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.138 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -48.42 70.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.704 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.9 m -65.98 -34.2 77.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.42 -31.58 72.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.17 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.42 -38.11 39.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.649 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.742 ' O ' HG23 ' A' ' 34' ' ' VAL . 60.6 mt -59.28 -29.68 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.733 0.302 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -55.09 -56.17 22.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.926 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -34.12 74.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.58 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -64.44 -40.01 94.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.816 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 30' ' ' ILE . 56.0 t -54.68 -73.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.721 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 18.7 t -48.11 -56.97 6.52 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -178.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.577 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.91 -44.76 0.37 Allowed Glycine 0 C--N 1.319 -0.383 0 C-N-CA 119.221 -1.466 . . . . 0.0 109.859 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.4 t -91.51 -69.7 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-N 114.643 -0.779 . . . . 0.0 112.197 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.4 -74.9 0.35 Allowed 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -177.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.721 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -62.66 3.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.151 -1.386 . . . . 0.0 114.017 -176.378 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -154.76 46.1 0.54 Allowed Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.528 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.0 -87.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.912 0.387 . . . . 0.0 111.198 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.02 54.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.44 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.1 p 49.09 27.54 1.77 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.769 0.318 . . . . 0.0 111.348 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -103.24 36.82 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-O 121.059 0.457 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -146.71 37.68 1.18 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.466 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.9 ppt_? . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.886 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 4.2 tmm? . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.799 0.333 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -88.77 56.19 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 1.2 m -91.46 72.38 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 26.1 t -95.59 -25.1 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.56 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -14' ' ' LYS . . . . . 0.856 ' O ' HG23 ' A' ' -10' ' ' VAL . 0.3 OUTLIER -85.55 -30.27 23.51 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.3 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -79.44 -38.67 34.1 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.094 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -12' ' ' LEU . . . . . 0.833 ' O ' HD13 ' A' ' -12' ' ' LEU . 1.4 tm? -76.02 -25.67 55.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.839 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -72.18 -31.73 66.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.014 0.435 . . . . 0.0 110.888 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -10' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' -14' ' ' LYS . 21.7 t -74.46 -42.34 49.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.131 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -26.91 43.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.246 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -55.84 -77.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.051 0.453 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -61.03 -35.28 76.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.933 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -6' ' ' LYS . . . . . 0.815 ' HG3' HG12 ' A' ' -10' ' ' VAL . 8.9 mtmt -54.04 -52.93 59.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -85.14 16.28 3.64 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.972 0.415 . . . . 0.0 111.29 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 22.4 tp -90.6 -49.34 6.54 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.489 0.662 . . . . 0.0 109.776 178.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -80.23 -16.98 53.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.357 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -50.4 -98.42 0.01 OUTLIER Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.972 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 175.59 -139.75 4.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.668 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 2' ' ' ASN . 21.6 t -45.91 159.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.8 0.333 . . . . 0.0 111.574 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.494 ' N ' HG12 ' A' ' 1' ' ' VAL . 1.8 t-20 -132.37 75.43 1.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.712 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 63.99 71.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.3 31.02 0.19 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.433 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -93.58 -21.25 19.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 111.19 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 106.0 100.29 2.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.521 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 7' ' ' VAL . 19.6 t -100.78 18.36 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 CA-C-O 121.758 0.79 . . . . 0.0 111.307 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.78 152.98 24.36 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.484 -1.235 . . . . 0.0 110.844 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.47 123.74 17.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m -152.17 110.46 3.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.81 1.4 0.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.402 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.401 ' CG2' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -152.25 163.96 38.36 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.634 0.254 . . . . 0.0 110.468 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' N ' ' CG2' ' A' ' 12' ' ' THR . 0.0 OUTLIER -57.76 175.5 0.19 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.432 179.535 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.3 m -96.22 25.53 4.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.711 0.291 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.2 p -131.71 108.39 9.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 17' ' ' ASN . 8.1 t -68.45 163.59 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.06 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.5 ' N ' HG12 ' A' ' 16' ' ' VAL . 3.8 m-20 -85.39 55.26 3.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.049 0.452 . . . . 0.0 110.5 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.439 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 0.8 OUTLIER -66.71 -7.89 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.855 -179.707 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' A' ' 22' ' ' PHE . . . -106.83 -60.06 0.58 Allowed Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.299 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -62.48 1.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.728 -0.278 . . . . 0.0 110.398 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . . . -65.0 -3.25 3.31 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.22 0.533 . . . . 0.0 112.227 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.439 ' HB2' ' O ' ' A' ' 18' ' ' TRP . 12.2 t80 -71.05 -43.15 68.43 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 177.098 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -23.41 61.62 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.122 -1.399 . . . . 0.0 109.082 177.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.434 ' CG ' ' HA ' ' A' ' 21' ' ' ALA . 70.6 mt-10 -69.34 -53.99 16.81 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.908 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -56.67 -30.45 63.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.075 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -64.66 -51.01 64.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.579 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.493 HG22 ' OD1' ' A' ' 31' ' ' ASN . 38.6 m -73.39 -31.98 64.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.657 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.76 93.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.067 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.35 -52.92 35.9 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.183 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.708 ' O ' HG23 ' A' ' 34' ' ' VAL . 26.0 mt -62.72 -29.43 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.493 ' OD1' HG22 ' A' ' 27' ' ' THR . 0.9 OUTLIER -54.61 -66.17 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.778 179.724 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 t -55.95 -32.18 63.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.098 0.475 . . . . 0.0 110.403 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.423 ' HD2' HG23 ' A' ' 30' ' ' ILE . 1.7 t80 -63.92 -60.04 3.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.259 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 30' ' ' ILE . 36.8 t -54.58 -68.77 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.231 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.725 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.75 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 48.3 t -48.29 -56.04 9.05 Favored 'General case' 0 CA--C 1.506 -0.738 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.87 -45.57 0.4 Allowed Glycine 0 C--N 1.319 -0.395 0 C-N-CA 119.24 -1.457 . . . . 0.0 109.675 178.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.3 t -91.5 -69.26 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 114.665 -0.767 . . . . 0.0 112.298 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.591 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.28 -74.83 0.35 Allowed 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -177.469 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.75 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -65.1 12.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.147 -1.388 . . . . 0.0 114.005 -176.557 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -94.86 26.43 18.64 Favored Glycine 0 C--N 1.333 0.37 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.518 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.601 ' O ' HG22 ' A' ' 44' ' ' ILE . . . -169.76 34.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.855 0.36 . . . . 0.0 111.047 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.98 -1.37 85.01 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.898 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.5 p -104.42 23.0 13.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.697 0.284 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.601 HG22 ' O ' ' A' ' 41' ' ' ALA . 1.1 tp -106.19 38.92 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.034 0.445 . . . . 0.0 110.916 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.62 -83.16 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.467 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.778 0.323 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -88.84 126.21 35.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 4.3 p -63.63 122.99 17.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.1 t -95.46 -23.73 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.627 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -31.79 24.31 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.206 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' -13' ' ' GLU . . . . . 0.562 ' O ' HG12 ' A' ' -10' ' ' VAL . 19.6 tt0 -79.77 -35.11 39.17 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.202 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' -12' ' ' LEU . . . . . 0.592 ' O ' HD23 ' A' ' -12' ' ' LEU . 5.2 tt -81.16 -20.97 40.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.372 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -87.91 -28.75 21.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.886 0.374 . . . . 0.0 111.45 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -10' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' -13' ' ' GLU . 14.4 p -68.74 -28.93 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -45.47 67.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.59 -56.11 26.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.024 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -7' ' ' MET . . . . . 0.416 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 1.7 ptm -59.62 -31.19 69.27 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -54.02 -61.74 2.11 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.14 17.35 3.03 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.913 0.387 . . . . 0.0 111.658 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' -4' ' ' LEU . . . . . 0.416 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.7 OUTLIER -89.58 -57.75 2.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.368 0.604 . . . . 0.0 110.457 179.321 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -85.89 5.3 33.54 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.522 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -57.38 -59.21 11.28 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.642 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 88.85 -164.57 32.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.441 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.0 m -107.75 133.9 51.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 111.175 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -152.46 63.71 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.79 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 58.81 40.22 23.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.4 -25.94 21.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.542 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.6 t30 63.98 6.06 2.66 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -131.73 61.26 0.66 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.383 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.724 HG13 ' N ' ' A' ' 8' ' ' SER . 0.5 OUTLIER 41.08 -162.5 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-O 120.915 0.388 . . . . 0.0 111.828 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.724 ' N ' HG13 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -107.75 -159.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.626 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.525 ' HB3' ' HA ' ' A' ' 14' ' ' CYS . 0.7 OUTLIER 36.22 108.69 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 179.563 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.3 m -129.96 111.53 12.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.843 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.49 6.98 1.62 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.487 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.432 ' CG2' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -151.81 166.47 31.3 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.416 -179.796 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.432 ' N ' ' CG2' ' A' ' 12' ' ' THR . 0.0 OUTLIER -47.24 170.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.807 0.337 . . . . 0.0 111.408 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.525 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -105.84 37.55 2.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.82 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.81 155.99 22.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.779 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.0 p -58.33 150.12 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.996 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -123.38 50.12 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.2 t90 -70.19 -31.54 69.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.054 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.75 -47.63 1.02 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.081 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -61.98 1.96 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.45 ' HA ' ' HB2' ' A' ' 24' ' ' GLU . . . -65.17 -6.71 9.95 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.3 0.572 . . . . 0.0 112.171 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -69.28 -39.62 78.25 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.2 -23.05 51.49 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.528 -1.215 . . . . 0.0 109.167 177.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 40.8 mt-10 -67.68 -28.26 67.54 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.052 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -36.37 53.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.145 0.498 . . . . 0.0 111.217 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.523 ' O ' HD12 ' A' ' 30' ' ' ILE . 66.2 t80 -64.17 -35.98 82.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.256 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.2 m -67.97 -47.64 68.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.773 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.11 -31.86 61.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.036 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.81 -58.07 8.87 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.309 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.903 ' O ' HG23 ' A' ' 34' ' ' VAL . 4.6 mp -64.8 -31.81 55.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.752 0.311 . . . . 0.0 110.975 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -53.32 -66.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.07 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.9 -30.66 67.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -67.46 -47.26 70.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.727 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 30' ' ' ILE . 60.3 t -54.68 -73.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.738 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -48.78 -52.89 21.46 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.565 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.75 -43.81 0.43 Allowed Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 178.534 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.0 t -91.48 -72.35 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 CA-C-N 114.503 -0.848 . . . . 0.0 111.855 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.37 -75.03 0.34 Allowed 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -177.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.738 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 1.8 t -63.2 7.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.154 -1.385 . . . . 0.0 114.347 -176.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -117.45 -81.13 0.8 Allowed Glycine 0 C--N 1.334 0.418 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.373 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.49 73.97 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.834 0.35 . . . . 0.0 111.103 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.07 -81.32 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.497 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.7 m -58.71 -80.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.037 0.446 . . . . 0.0 111.048 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.51 ' O ' HG23 ' A' ' 44' ' ' ILE . 1.0 OUTLIER -126.8 54.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.09 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -93.28 45.06 2.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.143 -0.932 . . . . 0.0 110.925 179.925 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.796 0.332 . . . . 0.0 111.249 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -88.75 87.69 7.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.796 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 59.4 p -86.28 119.29 26.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 18.6 t -95.69 -25.65 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.63 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -83.28 -34.02 25.85 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.71 -36.7 43.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.819 178.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -73.26 -25.43 60.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.694 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.47 -24.73 63.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.959 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.06 -46.86 44.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -37.86 70.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -50.75 -74.1 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -7' ' ' MET . . . . . 0.4 ' O ' ' HA ' ' A' ' -3' ' ' HIS . 0.0 OUTLIER -64.67 -23.79 67.37 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.902 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -52.63 -32.43 41.8 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -66.99 -135.96 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.132 -1.395 . . . . 0.0 108.024 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -4' ' ' LEU . . . . . 0.699 ' O ' HD23 ' A' ' -4' ' ' LEU . 9.9 tt -56.75 -10.74 1.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -3' ' ' HIS . . . . . 0.4 ' HA ' ' O ' ' A' ' -7' ' ' MET . 30.3 t60 65.76 58.93 0.76 Allowed 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 120.913 0.387 . . . . 0.0 110.748 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -134.88 -176.39 14.34 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 69.38 19.97 74.86 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.748 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.576 ' O ' HG13 ' A' ' 1' ' ' VAL . 9.9 p 178.97 111.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.765 0.317 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -161.85 82.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.078 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 58.86 80.26 0.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.066 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.89 39.83 3.08 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.711 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.4 t30 62.83 4.72 1.54 Allowed 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 55.06 88.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.49 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.681 HG13 ' N ' ' A' ' 8' ' ' SER . 0.9 OUTLIER -58.8 -162.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.352 . . . . 0.0 110.977 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.681 ' N ' HG13 ' A' ' 7' ' ' VAL . 27.9 m -136.62 142.21 43.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.88 125.94 37.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 p -152.27 111.3 3.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.002 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm 60.54 2.19 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.492 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.1 t -151.75 -178.45 6.73 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.756 0.312 . . . . 0.0 111.298 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -67.29 178.67 1.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.746 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.2 m -98.89 53.39 0.99 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.961 0.41 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.9 t -152.58 171.2 18.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.605 HG12 ' O ' ' A' ' 16' ' ' VAL . 29.2 t -96.44 41.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.025 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 61.25 69.96 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.422 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 3.2 m95 -77.23 12.07 1.63 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.191 -178.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.439 ' O ' ' HB3' ' A' ' 22' ' ' PHE . . . -116.36 -55.97 0.33 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.14 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -58.39 -68.91 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.866 -0.197 . . . . 0.0 110.736 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.421 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . . . -65.06 -2.61 2.87 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.439 ' HB3' ' O ' ' A' ' 19' ' ' GLY . 15.4 t80 -73.15 -40.52 64.8 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 177.203 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.45 -21.4 58.15 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.175 177.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' CG ' ' HA ' ' A' ' 21' ' ' ALA . 31.0 mt-10 -67.58 -56.15 10.58 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.747 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.8 mmt-85 -58.94 -28.46 66.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.04 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -65.73 -48.56 71.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.763 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.9 m -67.55 -37.24 82.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.842 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.77 -27.29 66.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.282 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.75 -50.17 4.29 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.661 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.894 ' O ' HG23 ' A' ' 34' ' ' VAL . 75.5 mt -57.71 -32.78 43.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.689 0.28 . . . . 0.0 111.148 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -50.45 -63.5 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -60.81 -32.44 71.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -66.9 -39.18 87.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.987 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 30' ' ' ILE . 60.0 t -54.73 -75.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.016 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.737 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 9.1 p -48.58 -54.57 13.99 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.572 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.31 -44.04 0.38 Allowed Glycine 0 C--N 1.319 -0.406 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 178.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.2 t -91.29 -71.53 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-N 114.583 -0.809 . . . . 0.0 111.93 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.34 -74.89 0.35 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -177.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.737 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -62.55 4.37 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.188 -1.369 . . . . 0.0 114.248 -176.409 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -106.75 -54.28 0.69 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.552 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -171.94 -39.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.106 0.479 . . . . 0.0 111.216 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 55.96 23.89 40.28 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.696 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.1 m -110.19 -30.99 7.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.39 . . . . 0.0 111.059 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.486 ' O ' HG23 ' A' ' 44' ' ' ILE . 1.1 tp -168.63 44.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.371 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.73 -126.41 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.449 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 3.7 mmt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.79 0.329 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -88.46 84.13 6.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -16' ' ' SER . . . . . 0.56 ' O ' HD12 ' A' ' -12' ' ' LEU . 0.2 OUTLIER -80.08 119.36 22.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.56 -24.05 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.586 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -14' ' ' LYS . . . . . 0.428 ' O ' HG23 ' A' ' -10' ' ' VAL . 5.7 ttmt -81.55 -32.29 32.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.149 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.79 -40.83 46.83 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.909 178.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -12' ' ' LEU . . . . . 0.56 HD12 ' O ' ' A' ' -16' ' ' SER . 0.4 OUTLIER -70.29 -25.11 63.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.687 179.324 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -33.93 75.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.077 0.465 . . . . 0.0 110.801 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -10' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' -14' ' ' LYS . 24.1 t -74.61 -29.62 23.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.144 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -56.44 -28.24 58.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.161 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -73.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.108 0.48 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -32.22 58.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -62.79 1.42 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.4 17.82 2.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.561 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 5.8 tp -89.4 -60.07 2.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.274 0.559 . . . . 0.0 110.542 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.03 -21.55 66.39 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.142 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -145.87 124.93 2.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -169.49 36.39 0.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.0 112.33 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.773 0.32 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -133.68 45.06 2.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 61.87 47.79 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.15 -29.24 74.38 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.473 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -90.18 -69.27 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.193 0.521 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.93 102.82 0.91 Allowed Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.491 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.462 HG12 ' N ' ' A' ' 8' ' ' SER . 5.4 t -60.53 161.89 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 110.918 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.462 ' N ' HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -160.4 179.4 8.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.964 0.411 . . . . 0.0 111.181 -179.87 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.415 ' HA ' ' HB3' ' A' ' 14' ' ' CYS . 3.2 m -58.46 114.28 2.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.835 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -162.36 114.09 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.63 10.32 2.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.965 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.467 ' O ' ' CG2' ' A' ' 12' ' ' THR . 0.9 OUTLIER -150.82 2.79 0.45 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.756 -179.427 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 53.2 27.23 5.77 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.26 0.552 . . . . 0.0 111.417 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.415 ' HB3' ' HA ' ' A' ' 9' ' ' CYS . 10.4 p 40.74 42.27 1.37 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.527 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.0 m -150.48 163.45 38.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.004 0.431 . . . . 0.0 111.176 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.656 HG13 ' N ' ' A' ' 17' ' ' ASN . 0.7 OUTLIER -61.36 -164.11 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.87 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.656 ' N ' HG13 ' A' ' 16' ' ' VAL . 2.4 m120 -80.01 55.82 2.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.218 0.532 . . . . 0.0 110.541 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.51 5.6 4.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.001 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -109.29 -57.4 0.53 Allowed Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.439 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -54.78 -66.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.92 -0.165 . . . . 0.0 110.694 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . . . -64.73 -4.12 3.97 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 121.289 0.566 . . . . 0.0 111.975 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -70.49 -39.81 73.94 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 176.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -73.91 -23.99 59.63 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.294 -1.321 . . . . 0.0 108.597 177.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.422 ' CG ' ' HA ' ' A' ' 21' ' ' ALA . 62.6 mt-10 -76.2 -47.73 22.99 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.765 179.409 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 26' ' ' TYR . 0.4 OUTLIER -61.63 -33.73 74.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.966 -179.864 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.795 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -63.79 -31.88 73.21 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.891 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.8 m -68.36 -42.9 78.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.6 94.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.207 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.69 -54.45 10.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.644 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.889 ' O ' HG23 ' A' ' 34' ' ' VAL . 56.1 mt -58.0 -25.55 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.722 0.296 . . . . 0.0 111.22 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -52.39 -66.32 0.4 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.106 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 p -60.29 -32.51 71.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.713 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -64.72 -46.71 81.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 30' ' ' ILE . 59.3 t -58.16 -75.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.69 ' HA ' ' N ' ' A' ' 39' ' ' SER . 0.7 OUTLIER -47.84 -33.3 7.17 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.532 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.69 -49.37 47.28 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 108.291 -1.923 . . . . 0.0 108.291 177.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.0 t -91.96 -60.59 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-N 114.182 -1.009 . . . . 0.0 113.142 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.619 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -82.9 -73.45 0.4 Allowed 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 -175.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.69 ' N ' ' HA ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -61.55 -14.47 30.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.231 -1.35 . . . . 0.0 114.0 -174.743 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 35' ' ' SER . . . 60.03 59.1 11.03 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.559 178.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.445 ' N ' ' HB3' ' A' ' 35' ' ' SER . . . -164.11 42.61 0.09 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.895 0.379 . . . . 0.0 111.185 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.52 -27.9 3.95 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.455 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -151.34 31.3 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.934 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -118.9 52.29 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.998 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.15 -39.76 0.4 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.772 0.32 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -90.41 44.63 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.088 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -16' ' ' SER . . . . . 0.675 ' O ' HD12 ' A' ' -12' ' ' LEU . 12.6 p -92.86 122.27 35.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.846 0.355 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.71 -23.32 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.744 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -82.81 -32.85 27.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -78.57 -38.22 40.73 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.766 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -12' ' ' LEU . . . . . 0.675 HD12 ' O ' ' A' ' -16' ' ' SER . 13.3 mt -71.94 -25.28 61.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.698 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -26.73 65.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.979 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 27.8 t -74.35 -66.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.187 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.84 -27.8 5.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.298 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -8' ' ' GLU . . . . . 0.46 ' OE1' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -60.21 -78.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.103 0.477 . . . . 0.0 110.941 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 2.0 ptm -56.38 -33.16 65.46 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -53.84 -62.47 1.63 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.829 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.35 17.78 2.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.874 0.369 . . . . 0.0 111.361 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -4' ' ' LEU . . . . . 0.462 HD23 ' C ' ' A' ' -4' ' ' LEU . 10.2 tt -89.39 -65.64 1.0 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.312 0.577 . . . . 0.0 110.631 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -22.1 59.64 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -131.9 -168.56 12.13 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.449 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 59.24 84.53 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.418 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' ' 1' ' ' VAL . 11.1 p -79.32 112.7 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 111.058 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -161.75 69.92 0.32 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.785 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 59.86 40.73 18.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.16 -103.45 1.44 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 63.0 6.73 2.35 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -167.23 62.87 0.21 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.585 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.722 HG13 ' N ' ' A' ' 8' ' ' SER . 0.5 OUTLIER 40.74 -161.42 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.746 0.308 . . . . 0.0 111.804 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.722 ' N ' HG13 ' A' ' 7' ' ' VAL . 41.6 m -149.0 135.75 19.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.9 m -63.09 115.02 4.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.8 p -168.02 111.18 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.194 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 tttm 59.1 2.89 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.364 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -152.23 166.83 30.53 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -179.875 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' N ' ' CG2' ' A' ' 12' ' ' THR . 7.1 mtpt -53.86 -175.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.773 0.321 . . . . 0.0 110.704 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.5 m -117.61 -136.28 0.35 Allowed 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.3 166.08 25.66 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -89.0 153.58 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.127 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -96.07 57.7 1.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.696 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.405 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -65.3 -13.18 57.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.552 -179.682 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.36 -60.11 0.64 Allowed Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.203 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.48 -63.51 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 122.878 -0.19 . . . . 0.0 110.621 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.45 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . . . -65.1 -4.41 4.84 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.356 0.598 . . . . 0.0 112.098 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -71.21 -40.6 71.05 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 177.151 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -76.02 -21.91 56.34 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.178 177.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.45 ' CG ' ' HA ' ' A' ' 21' ' ' ALA . 44.5 mt-10 -68.1 -57.72 5.64 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.864 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -58.55 -28.3 65.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.092 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -42.22 87.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.782 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.0 m -69.15 -42.41 75.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.23 -31.11 72.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.16 -52.24 23.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.544 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.913 ' O ' HG23 ' A' ' 34' ' ' VAL . 44.9 mm -60.22 -39.14 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.758 0.313 . . . . 0.0 111.067 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -52.85 -63.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.0 m -61.11 -31.21 70.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.603 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -66.35 -47.94 71.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.602 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 30' ' ' ILE . 46.6 t -54.6 -72.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.744 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 12.2 p -48.63 -54.2 15.6 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.574 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.41 -44.62 0.43 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 119.275 -1.44 . . . . 0.0 109.515 178.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.7 t -91.35 -70.96 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 CA-C-N 114.552 -0.824 . . . . 0.0 111.976 177.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.29 -75.04 0.34 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -177.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.744 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -62.66 5.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.203 -1.362 . . . . 0.0 114.079 -176.467 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -149.9 51.56 0.53 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.401 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.11 -21.29 59.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 111.454 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.88 52.25 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.574 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -104.37 -20.61 13.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 111.057 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 44' ' ' ILE . 7.3 tp -145.99 73.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.25 -43.18 0.4 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.567 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.912 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.847 0.356 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -88.65 90.92 8.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -16' ' ' SER . . . . . 0.613 ' O ' HD13 ' A' ' -12' ' ' LEU . 66.1 m -82.61 109.31 16.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.6 t -95.56 -22.03 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.688 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -14' ' ' LYS . . . . . 0.6 ' O ' HG23 ' A' ' -10' ' ' VAL . 0.0 OUTLIER -83.21 -32.33 26.58 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.252 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.99 -39.9 40.87 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.878 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -12' ' ' LEU . . . . . 0.613 HD13 ' O ' ' A' ' -16' ' ' SER . 8.3 mp -72.08 -25.19 61.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.688 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -71.86 -25.45 61.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.976 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -10' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' -14' ' ' LYS . 21.4 t -74.28 -44.25 49.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.095 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -29.86 60.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.035 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -78.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.987 0.422 . . . . 0.0 110.831 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' -7' ' ' MET . . . . . 0.412 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 0.3 OUTLIER -51.6 -28.23 13.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.146 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -53.85 -67.85 0.23 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -85.35 17.71 3.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 0.0 111.687 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -4' ' ' LEU . . . . . 0.412 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.2 OUTLIER -89.45 -48.42 7.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.328 0.585 . . . . 0.0 110.524 179.365 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -61.55 -21.44 64.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 125.53 -79.26 0.37 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.489 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 173.0 76.81 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.8 p -151.69 134.34 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 111.077 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 3' ' ' TYR . 3.2 m120 -140.67 41.38 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.423 ' CG ' ' O ' ' A' ' 2' ' ' ASN . 30.0 p90 43.46 38.72 1.9 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.466 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.54 22.69 0.49 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.655 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -120.8 -19.26 7.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.625 0.25 . . . . 0.0 111.433 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 94.98 86.33 1.69 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.683 HG22 ' H ' ' A' ' 8' ' ' SER . 1.1 p -75.12 -161.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.683 ' H ' HG22 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -105.59 144.13 32.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.928 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.8 m -102.29 114.83 29.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -152.13 112.19 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.939 0.4 . . . . 0.0 111.102 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm 60.88 3.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.347 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 t -151.66 -170.44 3.65 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.914 0.387 . . . . 0.0 111.227 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -164.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.674 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.4 m -124.67 -136.24 0.28 Allowed 'General case' 0 N--CA 1.431 -1.387 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.1 t -131.6 158.06 42.01 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 17' ' ' ASN . 20.5 t -91.2 159.27 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.277 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.479 ' N ' HG12 ' A' ' 16' ' ' VAL . 69.6 m-80 -126.89 72.1 1.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.578 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -12.42 56.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.719 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 22' ' ' PHE . . . -106.68 -60.48 0.59 Allowed Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.139 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -55.12 -63.37 1.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.828 -0.219 . . . . 0.0 110.436 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . . . -65.18 -5.47 6.95 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.297 0.57 . . . . 0.0 112.051 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.411 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 0.7 OUTLIER -68.52 -41.41 79.95 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 177.194 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -74.99 -23.5 58.27 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.263 -1.335 . . . . 0.0 109.218 177.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.441 ' CG ' ' HA ' ' A' ' 21' ' ' ALA . 5.7 mm-40 -73.43 -62.34 1.51 Allowed 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.097 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -54.21 -28.3 40.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.246 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -45.09 88.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.473 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.3 m -77.17 -43.92 32.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.693 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.51 -31.28 71.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.017 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.59 -53.27 21.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.787 ' O ' HG23 ' A' ' 34' ' ' VAL . 71.1 mt -59.39 -29.91 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.721 0.296 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -55.53 -57.22 12.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.82 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 m -61.29 -32.65 72.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.577 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -64.97 -47.95 75.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.818 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 30' ' ' ILE . 38.9 t -54.63 -73.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.038 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.733 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 16.4 p -48.68 -54.14 15.97 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.573 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.42 -44.22 0.41 Allowed Glycine 0 C--N 1.319 -0.369 0 C-N-CA 119.282 -1.437 . . . . 0.0 109.528 178.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.3 t -91.35 -71.41 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-N 114.508 -0.846 . . . . 0.0 111.86 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.48 -74.9 0.35 Allowed 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -177.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.733 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -62.58 3.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.176 -1.375 . . . . 0.0 114.317 -176.397 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -111.53 27.35 10.66 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.453 -0.879 . . . . 0.0 112.514 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.26 -22.03 59.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 111.394 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.63 81.11 0.64 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.369 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.428 ' O ' HG22 ' A' ' 44' ' ' ILE . 1.2 m -84.28 -1.62 55.59 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.46 0.17 . . . . 0.0 111.46 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.428 HG22 ' O ' ' A' ' 43' ' ' SER . 0.8 OUTLIER 43.44 45.6 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 121.022 0.439 . . . . 0.0 111.513 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.14 -103.7 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 21.2 mtt . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.919 0.39 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -88.7 100.02 12.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -16' ' ' SER . . . . . 0.475 ' O ' HD12 ' A' ' -12' ' ' LEU . 0.2 OUTLIER -80.29 115.28 19.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 30.7 t -95.54 -22.61 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.638 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -31.73 24.1 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.48 -35.57 34.6 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.977 178.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' -12' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' -16' ' ' SER . 31.5 mt -77.85 -23.56 48.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.857 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -77.33 -37.74 51.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.046 0.451 . . . . 0.0 111.058 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -10' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' -9' ' ' LYS . 10.7 p -74.44 -43.39 49.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' -9' ' ' LYS . . . . . 0.443 ' N ' HG13 ' A' ' -10' ' ' VAL . 1.5 ttmt -66.38 -28.3 68.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' -8' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' -4' ' ' LEU . 1.7 tt0 -56.98 -42.53 80.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 64.8 mtm -56.65 -43.03 79.93 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.749 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -53.89 -55.31 27.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.335 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -85.47 17.31 3.25 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.3 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -4' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' -8' ' ' GLU . 8.0 tt -89.68 -64.39 1.15 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.426 0.631 . . . . 0.0 110.428 179.206 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -72.7 -22.15 60.94 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.227 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -102.4 109.81 3.63 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -159.1 76.88 0.19 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 29.7 m -62.25 155.28 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.841 0.353 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -152.97 40.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 60.56 77.7 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.47 38.15 0.55 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -92.55 -17.63 24.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.756 0.312 . . . . 0.0 111.222 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.66 28.82 11.0 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.589 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.698 HG13 ' N ' ' A' ' 8' ' ' SER . 1.0 OUTLIER -75.27 -160.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.322 . . . . 0.0 110.917 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.698 ' N ' HG13 ' A' ' 7' ' ' VAL . 1.5 t 54.0 174.02 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.271 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.6 m -96.85 123.8 40.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.166 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 p -172.03 109.38 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.986 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.47 3.31 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.331 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.441 ' CG2' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -152.28 166.91 30.33 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 120.66 0.267 . . . . 0.0 110.298 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' N ' ' CG2' ' A' ' 12' ' ' THR . 17.5 mttt -53.43 -176.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.804 0.335 . . . . 0.0 110.766 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.7 m -117.45 -136.38 0.35 Allowed 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.6 t -134.31 141.08 46.81 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.819 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 17' ' ' ASN . 20.1 t -102.61 158.96 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.194 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.473 ' N ' HG12 ' A' ' 16' ' ' VAL . 17.2 t-20 -95.79 41.99 1.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.401 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -63.07 -17.53 62.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.321 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 22' ' ' PHE . . . -56.58 -56.96 21.86 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.262 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -54.62 -55.92 24.49 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.452 ' HA ' ' HB2' ' A' ' 24' ' ' GLU . . . -65.33 -8.04 16.37 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.295 0.569 . . . . 0.0 112.364 178.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -68.7 -42.1 78.21 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 177.692 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.96 -25.17 61.76 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.457 -1.247 . . . . 0.0 108.692 176.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.452 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 42.5 mt-10 -70.0 -39.76 75.7 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.742 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.528 ' HG3' ' N ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -66.13 -34.12 77.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.081 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.528 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 14.4 t80 -67.71 -32.18 72.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.797 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.5 m -75.75 -37.52 59.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.761 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.91 -42.46 89.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.991 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.12 -51.52 38.29 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.438 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.898 ' O ' HG23 ' A' ' 34' ' ' VAL . 33.8 mm -63.23 -28.28 44.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.689 0.28 . . . . 0.0 111.098 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.33 -62.43 1.66 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.068 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.5 m -59.95 -34.8 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -63.92 -50.47 68.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 30' ' ' ILE . 44.6 t -54.66 -74.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.734 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 9.5 p -48.62 -54.74 13.46 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.576 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.29 -44.43 0.4 Allowed Glycine 0 C--N 1.32 -0.332 0 C-N-CA 119.209 -1.472 . . . . 0.0 109.568 178.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.0 t -91.43 -70.99 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.895 0 CA-C-N 114.57 -0.815 . . . . 0.0 112.01 177.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.38 -74.62 0.36 Allowed 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 -177.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.734 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -62.53 3.31 0.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.212 -1.358 . . . . 0.0 114.193 -176.303 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -93.08 -75.13 1.29 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.455 -0.878 . . . . 0.0 112.193 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.73 72.26 10.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.886 0.374 . . . . 0.0 111.024 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.69 53.19 3.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.648 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.2 -81.72 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.983 0.42 . . . . 0.0 111.03 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.668 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -163.31 89.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.943 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.43 -86.53 1.31 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.442 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.848 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.951 0.405 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -88.71 97.75 11.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -16' ' ' SER . . . . . 0.401 ' CB ' ' HB2' ' A' ' -13' ' ' GLU . 19.0 m -79.42 123.61 27.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.3 t -95.64 -22.15 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -14' ' ' LYS . . . . . 0.717 ' O ' HG23 ' A' ' -10' ' ' VAL . 8.1 ttmt -84.11 -35.0 24.01 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -13' ' ' GLU . . . . . 0.401 ' HB2' ' CB ' ' A' ' -16' ' ' SER . 0.5 OUTLIER -79.33 -35.33 41.21 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.761 178.886 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 21.2 tp -75.45 -24.43 57.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.888 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -74.82 -37.47 62.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.145 0.497 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -10' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' -14' ' ' LYS . 21.9 t -74.44 -24.96 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.268 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -28.98 24.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.193 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -60.26 -40.57 90.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.09 0.471 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -7' ' ' MET . . . . . 0.415 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 1.6 mpp? -77.78 -39.28 44.54 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.15 -53.28 55.51 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.012 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -85.11 16.63 3.39 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.989 0.423 . . . . 0.0 111.191 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -4' ' ' LEU . . . . . 0.415 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.2 OUTLIER -90.45 -68.1 0.81 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.534 0.683 . . . . 0.0 109.741 178.446 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 46.06 30.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.196 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 81.29 -174.18 54.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.598 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -168.47 121.17 0.93 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.523 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 2' ' ' ASN . 25.8 t -82.84 158.59 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 111.099 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.478 ' N ' HG12 ' A' ' 1' ' ' VAL . 14.0 m-80 -131.76 50.3 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 61.2 79.8 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.957 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.89 40.4 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.433 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -66.21 -20.55 66.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.707 0.289 . . . . 0.0 111.101 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 169.77 69.06 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.532 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 8' ' ' SER . 5.0 t -69.58 161.92 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.743 0.306 . . . . 0.0 111.048 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.46 ' N ' HG12 ' A' ' 7' ' ' VAL . 26.7 p -104.24 129.12 52.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.2 m -111.37 115.24 28.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.8 p -168.39 112.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 111.039 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.81 5.46 0.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.338 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.1 t -151.35 30.17 0.62 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.671 0.272 . . . . 0.0 111.437 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.18 -160.95 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.136 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.2 m -108.62 -136.07 0.36 Allowed 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.7 t -131.58 96.86 4.07 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.007 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 17' ' ' ASN . 21.2 t -100.76 159.34 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.967 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.485 ' N ' HG12 ' A' ' 16' ' ' VAL . 27.1 m120 -131.3 73.7 1.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -71.37 -8.71 55.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.559 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' O ' ' CB ' ' A' ' 22' ' ' PHE . . . -108.41 -59.06 0.55 Allowed Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.072 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -55.14 -64.76 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . . . -65.01 -3.35 3.44 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.338 0.59 . . . . 0.0 111.968 179.27 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.41 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 1.0 OUTLIER -70.95 -40.89 71.74 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 177.2 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -75.0 -23.52 58.26 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.24 -1.346 . . . . 0.0 109.2 177.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.412 ' CG ' ' HA ' ' A' ' 21' ' ' ALA . 6.3 mm-40 -65.74 -47.15 76.24 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.867 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -58.78 -28.53 66.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -41.15 97.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.481 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.0 m -70.92 -36.3 72.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.643 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.81 92.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.038 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.54 -49.74 58.68 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.311 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.922 ' O ' HG23 ' A' ' 34' ' ' VAL . 28.7 mt -62.57 -29.72 47.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.786 0.327 . . . . 0.0 110.944 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -53.82 -65.39 0.58 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 m -57.42 -31.42 65.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.974 0.416 . . . . 0.0 110.432 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -65.39 -48.18 73.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.433 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.922 HG23 ' O ' ' A' ' 30' ' ' ILE . 35.1 t -54.7 -69.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.698 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 21.2 t -48.29 -48.71 35.64 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -178.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.53 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -39.48 -46.3 2.73 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 118.949 -1.596 . . . . 0.0 109.149 178.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.9 t -91.86 -67.53 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 114.507 -0.847 . . . . 0.0 112.683 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.603 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.41 -74.98 0.34 Allowed 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -176.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.698 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -62.59 5.17 0.12 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.169 -1.378 . . . . 0.0 114.098 -176.088 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -78.44 -62.53 2.28 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.452 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 56.33 34.14 23.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.865 0.364 . . . . 0.0 111.171 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.19 -22.67 4.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.686 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.1 m -139.16 35.25 2.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.819 0.343 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 pt -84.49 52.08 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.267 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.35 27.83 4.87 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.547 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.927 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 14.6 mtt . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.876 0.369 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.61 109.38 20.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 9.1 p -67.25 101.91 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.012 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 26.7 t -95.73 -25.33 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.599 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.21 -33.81 24.05 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -79.58 -34.75 40.57 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.87 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 58.4 tp -76.42 -24.59 53.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.948 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -79.32 -40.3 30.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.129 0.49 . . . . 0.0 111.063 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 9.9 p -74.43 -26.98 20.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.316 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -24.13 61.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.84 -78.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.05 0.452 . . . . 0.0 111.202 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 4.8 ptp -51.55 -35.38 40.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.201 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -60.83 2.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.33 17.01 3.3 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.969 0.414 . . . . 0.0 111.378 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.26 -44.89 9.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.346 0.593 . . . . 0.0 110.286 178.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 28.5 p-80 -78.43 -21.95 48.42 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.43 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 73.04 73.82 0.84 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.371 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -93.13 -176.6 40.71 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.653 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.514 HG22 ' N ' ' A' ' 2' ' ' ASN . 12.0 p -85.32 160.69 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.514 ' N ' HG22 ' A' ' 1' ' ' VAL . 4.3 m-20 -131.56 54.16 1.94 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.401 ' CG ' ' O ' ' A' ' 2' ' ' ASN . 15.2 p90 43.29 80.12 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.477 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.26 79.97 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -57.81 -22.84 49.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.826 0.346 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.53 82.43 0.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.681 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 8' ' ' SER . 5.2 t -84.25 162.16 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.71 0.29 . . . . 0.0 110.759 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.466 ' N ' HG12 ' A' ' 7' ' ' VAL . 19.8 m -142.71 114.6 8.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 0.0 111.274 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.1 m -100.91 116.25 32.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.474 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -142.61 113.06 7.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 0.0 111.233 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.34 4.3 0.47 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.189 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.453 ' CG2' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -152.07 169.01 23.43 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -179.817 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.453 ' N ' ' CG2' ' A' ' 12' ' ' THR . 20.0 pttt -54.97 -170.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.715 0.293 . . . . 0.0 110.767 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.8 m -112.74 -136.25 0.36 Allowed 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.4 t -148.53 128.12 13.23 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.499 HG12 ' N ' ' A' ' 17' ' ' ASN . 25.8 t -73.3 160.05 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.499 ' N ' HG12 ' A' ' 16' ' ' VAL . 6.5 m120 -93.25 42.78 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.062 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -11.97 61.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.243 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.4 -50.66 0.75 Allowed Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.188 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -54.74 -63.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' A' ' 24' ' ' GLU . . . -65.07 -2.91 3.09 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.352 0.596 . . . . 0.0 112.224 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -72.57 -40.17 66.85 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 177.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.78 -24.8 59.9 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.028 177.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.432 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 1.3 mm-40 -62.56 -52.22 64.27 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.462 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -65.46 -29.14 69.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.783 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -44.56 85.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.49 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.2 m -61.96 -40.93 97.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.723 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.52 -31.94 73.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.4 -47.71 49.47 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.425 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.881 ' O ' HG23 ' A' ' 34' ' ' VAL . 21.1 mt -60.48 -32.23 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.847 0.356 . . . . 0.0 110.916 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -65.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.678 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.44 -31.78 70.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.364 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.437 ' HB3' ' HA ' ' A' ' 30' ' ' ILE . 1.7 t80 -62.42 -44.64 95.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.279 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 30' ' ' ILE . 63.7 t -59.92 -75.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.753 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.677 ' HA ' ' N ' ' A' ' 39' ' ' SER . 10.9 p -47.45 -26.73 1.44 Allowed 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.21 -50.11 71.29 Favored Glycine 0 N--CA 1.441 -1.014 0 N-CA-C 108.128 -1.989 . . . . 0.0 108.128 176.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.8 t -91.53 -56.27 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 114.273 -0.963 . . . . 0.0 112.908 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.632 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -82.8 -74.35 0.36 Allowed 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -176.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.677 ' N ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -62.52 1.61 0.35 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.265 -1.334 . . . . 0.0 113.838 -175.822 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 35' ' ' SER . . . 48.97 27.55 6.73 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 121.155 -0.545 . . . . 0.0 113.276 178.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.469 ' H ' ' HB2' ' A' ' 35' ' ' SER . . . 46.02 34.52 2.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.787 0.327 . . . . 0.0 111.556 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.05 107.52 3.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.284 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.9 p -81.59 -29.34 33.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.948 0.404 . . . . 0.0 111.244 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 44' ' ' ILE . 8.1 tp -163.35 70.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.379 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.13 -140.14 7.17 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.73 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 120.784 0.326 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -88.64 66.73 8.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.025 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 28.9 m -92.91 94.91 9.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 26.3 t -95.54 -25.62 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.506 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -14' ' ' LYS . . . . . 0.532 ' O ' HG23 ' A' ' -10' ' ' VAL . 0.0 OUTLIER -84.16 -30.33 25.93 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.295 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.94 -39.31 34.95 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.096 178.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' -12' ' ' LEU . . . . . 0.817 ' O ' HD23 ' A' ' -12' ' ' LEU . 4.8 tt -73.26 -26.32 61.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.837 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -67.63 -32.79 73.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.999 0.428 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -10' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' -14' ' ' LYS . 29.9 t -74.54 -33.93 33.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.145 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -55.18 -24.45 26.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.288 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -56.21 -68.33 0.22 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.089 0.471 . . . . 0.0 111.091 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 6.7 ptm -68.98 -32.57 72.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -6' ' ' LYS . . . . . 0.444 ' HG3' HG12 ' A' ' -10' ' ' VAL . 0.2 OUTLIER -54.01 -58.88 5.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.858 -179.814 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -85.24 17.34 3.1 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 111.417 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 6.5 tp -89.46 -62.76 1.4 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.429 0.633 . . . . 0.0 110.346 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.81 -23.21 31.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.112 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -84.93 -151.59 14.72 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.607 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 133.82 156.93 8.11 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.481 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 5.5 m -59.26 118.29 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 0.0 111.167 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -158.79 69.26 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 59.93 39.6 20.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.861 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.07 -33.99 6.01 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.549 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 37.0 t30 63.59 6.23 2.5 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.6 54.81 5.29 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.56 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.721 HG13 ' N ' ' A' ' 8' ' ' SER . 0.5 OUTLIER 41.25 -161.82 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-O 120.853 0.359 . . . . 0.0 111.774 179.852 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.721 ' N ' HG13 ' A' ' 7' ' ' VAL . 1.3 m -113.5 115.07 27.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.3 m -88.88 112.91 23.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 m -156.48 19.1 0.34 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.439 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.05 -31.4 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.691 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.536 ' C ' ' H ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -137.16 173.73 11.37 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.586 -179.288 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.488 ' N ' ' CG2' ' A' ' 12' ' ' THR . 14.4 mttm -69.27 28.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.536 ' H ' ' C ' ' A' ' 12' ' ' THR . 4.1 m 74.78 67.67 0.08 Allowed 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.921 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.83 90.61 0.78 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.513 HG12 ' N ' ' A' ' 17' ' ' ASN . 23.0 t -59.23 161.13 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.987 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.513 ' N ' HG12 ' A' ' 16' ' ' VAL . 54.1 p30 -85.26 52.01 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.039 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 4.0 m0 -76.55 -4.74 44.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.336 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -109.65 -51.24 0.66 Allowed Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.162 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -54.8 -65.71 0.53 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 24' ' ' GLU . . . -64.95 -4.79 4.94 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.403 0.621 . . . . 0.0 112.018 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -70.95 -38.64 72.85 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 177.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -27.0 61.11 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.504 -1.225 . . . . 0.0 108.327 176.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 4.9 mm-40 -67.52 -36.32 80.81 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.201 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.545 ' HG3' ' N ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -74.8 -35.73 62.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.669 179.859 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.545 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -61.91 -35.54 78.68 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.224 179.473 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.2 m -57.83 -39.3 77.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.522 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.49 -31.29 68.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.971 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.08 -46.6 9.13 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.741 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.881 ' O ' HG23 ' A' ' 34' ' ' VAL . 33.2 mm -53.87 -40.41 44.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.747 0.308 . . . . 0.0 111.27 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -54.65 -38.9 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.026 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 m -72.52 -45.95 56.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.072 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -44.47 97.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 30' ' ' ILE . 44.7 t -54.66 -73.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.998 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.725 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 19.8 p -48.6 -53.69 17.46 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -178.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.89 -44.23 0.47 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 119.121 -1.514 . . . . 0.0 109.569 178.584 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 50.7 t -91.4 -71.33 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 114.534 -0.833 . . . . 0.0 111.974 177.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.33 -74.99 0.34 Allowed 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -177.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.725 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -63.31 7.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.185 -1.371 . . . . 0.0 114.172 -176.568 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -145.47 54.21 0.55 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.447 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.06 -44.01 0.2 Allowed 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.002 0.429 . . . . 0.0 111.359 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 59.84 90.88 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.504 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.6 t -105.23 -19.76 13.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.713 0.292 . . . . 0.0 111.167 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 44' ' ' ILE . 30.1 mm -103.11 59.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.943 0.402 . . . . 0.0 111.162 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.91 -109.42 2.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.612 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' -16' ' ' SER . . . . . 0.448 ' O ' HD23 ' A' ' -12' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.866 0.365 . . . . 0.0 110.932 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 30.8 t -95.44 -23.82 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.694 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.55 -32.25 28.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -77.1 -40.91 44.17 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.05 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' -12' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' -16' ' ' SER . 4.0 mm? -74.73 -21.37 59.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.961 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.59 -36.83 84.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.029 0.442 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 29.8 t -72.62 -48.62 45.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -60.35 -39.19 86.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.696 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -65.97 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' -7' ' ' MET . . . . . 0.436 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 7.6 ptm -51.04 -31.64 19.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.032 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' -6' ' ' LYS . . . . . 0.429 ' N ' ' HG3' ' A' ' -7' ' ' MET . 1.6 tttt -54.12 -65.16 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -85.42 17.73 3.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.711 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' -4' ' ' LEU . . . . . 0.436 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.3 OUTLIER . . . . . 0 C--N 1.321 -0.645 0 CA-C-O 121.31 0.576 . . . . 0.0 110.572 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.762 ' O ' HG23 ' A' ' 34' ' ' VAL . 66.1 mt -59.22 -33.79 51.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.71 0.291 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -55.59 -56.08 24.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.653 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 t -62.18 -32.87 73.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.462 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -64.85 -41.32 95.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.748 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 30' ' ' ILE . 51.5 t -54.7 -74.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.739 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 12.1 p -48.54 -54.74 13.25 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.577 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.17 -43.9 0.35 Allowed Glycine 0 C--N 1.32 -0.338 0 C-N-CA 119.299 -1.429 . . . . 0.0 109.625 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.4 t -91.29 -71.58 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 CA-C-N 114.581 -0.809 . . . . 0.0 111.83 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.42 -75.15 0.34 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -177.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.739 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 114.184 -1.371 . . . . 0.0 114.173 -176.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' -16' ' ' SER . . . . . 0.457 ' O ' HD12 ' A' ' -12' ' ' LEU . 49.3 p . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.877 0.37 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 20.9 t -95.44 -26.0 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.494 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' -14' ' ' LYS . . . . . 0.74 ' O ' HG23 ' A' ' -10' ' ' VAL . 0.0 OUTLIER -79.29 -36.65 39.38 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.121 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.72 -39.02 64.61 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.738 178.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' -12' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' -16' ' ' SER . 6.3 mt -66.85 -27.88 67.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.601 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.29 -27.2 59.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.946 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' -10' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' -14' ' ' LYS . 21.8 t -74.42 -34.21 35.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -60.39 -30.45 69.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -59.74 -68.58 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.131 0.491 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -55.24 -30.68 60.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.937 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -61.89 2.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.766 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -85.31 17.3 3.16 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.901 0.381 . . . . 0.0 111.325 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' -4' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' -4' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.323 -0.577 0 CA-C-O 121.336 0.589 . . . . 0.0 110.184 179.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.391 -0.284 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.547 ' O ' HG23 ' A' ' 34' ' ' VAL . 45.8 mt -60.0 -27.78 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 110.98 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -55.43 -66.39 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.829 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.43 -31.77 64.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.488 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.406 ' HD2' HG23 ' A' ' 30' ' ' ILE . 1.3 t80 -63.12 -59.19 5.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.266 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 30' ' ' ILE . 64.5 t -54.66 -74.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.708 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.73 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -48.75 -52.86 21.5 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.92 -43.53 0.43 Allowed Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 178.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.0 t -91.43 -72.56 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-N 114.457 -0.871 . . . . 0.0 111.906 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.41 -75.24 0.33 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -177.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.73 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 1.7 t . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 114.0 -1.454 . . . . 0.0 114.309 -176.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' -16' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' -12' ' ' LEU . 17.2 t . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.879 0.371 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 19.0 t -95.5 -24.55 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.561 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.7 -30.44 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 178.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' -13' ' ' GLU . . . . . 0.559 ' O ' HG12 ' A' ' -10' ' ' VAL . 30.7 tt0 -77.57 -41.18 39.78 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.049 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' -12' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' -12' ' ' LEU . 0.1 OUTLIER -72.82 -24.02 60.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.934 179.443 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -36.37 57.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.079 0.466 . . . . 0.0 110.963 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' -10' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' -13' ' ' GLU . 9.6 p -74.39 -30.23 25.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.101 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -64.04 -40.64 96.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.17 -44.1 95.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.101 0.476 . . . . 0.0 111.025 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' -7' ' ' MET . . . . . 0.462 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 6.6 ptm -73.75 -30.11 62.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.998 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' -6' ' ' LYS . . . . . 0.497 ' NZ ' HG22 ' A' ' -10' ' ' VAL . 0.1 OUTLIER -54.78 -58.98 5.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.356 -179.731 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -85.03 16.69 3.29 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.932 0.396 . . . . 0.0 111.498 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' -4' ' ' LEU . . . . . 0.462 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.4 OUTLIER . . . . . 0 C--N 1.322 -0.611 0 CA-C-O 121.456 0.646 . . . . 0.0 109.896 178.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.598 ' O ' HG23 ' A' ' 34' ' ' VAL . 34.5 mt -63.27 -29.97 48.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 111.044 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.46 -56.43 21.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.777 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.3 t -61.18 -32.87 72.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.622 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -63.45 -54.32 38.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.784 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 30' ' ' ILE . 48.1 t -54.78 -73.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.993 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.729 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 48.1 t -48.21 -55.98 9.09 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.558 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.31 -44.29 0.4 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 119.273 -1.441 . . . . 0.0 109.758 178.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.6 t -91.47 -70.54 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 CA-C-N 114.628 -0.786 . . . . 0.0 112.102 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.47 -75.1 0.34 Allowed 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -177.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.729 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 114.101 -1.409 . . . . 0.0 113.986 -176.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.88 0.371 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 16.2 t -95.76 -23.14 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.73 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' -14' ' ' LYS . . . . . 0.651 ' O ' HG23 ' A' ' -10' ' ' VAL . 4.8 ttpt -84.66 -35.31 22.71 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -79.03 -35.74 42.2 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.913 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 3.2 tp -76.8 -23.67 52.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.785 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -74.22 -24.67 59.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.032 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' -10' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' -14' ' ' LYS . 18.4 t -74.38 -47.54 39.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.405 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -37.16 45.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.161 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.55 -74.3 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.971 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 15.5 ptm -55.42 -24.34 29.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.118 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' -6' ' ' LYS . . . . . 0.619 ' HE2' HG12 ' A' ' -10' ' ' VAL . 0.3 OUTLIER -54.12 -57.26 11.79 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.821 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -85.34 16.86 3.4 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.914 0.388 . . . . 0.0 111.215 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 23.4 tp . . . . . 0 C--N 1.323 -0.56 0 CA-C-O 121.365 0.602 . . . . 0.0 109.963 178.634 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 112.285 -0.326 . . . . 0.0 112.285 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.456 ' O ' HG23 ' A' ' 34' ' ' VAL . 28.3 mt -59.83 -30.57 45.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.738 0.304 . . . . 0.0 110.82 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -56.76 -52.25 65.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.543 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.6 t -60.7 -33.27 72.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.193 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -56.03 23.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.28 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 38' ' ' ALA . 24.1 t -54.78 -70.62 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.624 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.729 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 18.8 p -48.72 -53.64 18.08 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.575 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.55 -44.63 0.45 Allowed Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 178.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.9 t -91.41 -70.88 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 114.51 -0.845 . . . . 0.0 111.961 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.31 -75.26 0.33 Allowed 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -177.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.729 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 114.208 -1.36 . . . . 0.0 114.21 -176.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.881 0.372 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.75 -23.35 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.47 -36.73 23.93 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -77.36 -36.17 53.92 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.681 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 36.2 tp -72.85 -26.12 61.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.618 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.42 -26.25 66.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.961 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 25.9 t -72.63 -50.19 35.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -59.37 -39.25 82.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.76 -70.69 0.17 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.783 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -52.2 -28.78 19.62 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.04 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -53.95 -65.85 0.5 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -85.42 17.78 3.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.613 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.321 -0.666 0 CA-C-O 121.36 0.6 . . . . 0.0 110.618 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.6 mm -60.88 -39.46 82.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.855 0.36 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.27 -46.71 87.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.759 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -33.44 72.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.773 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -63.49 -48.65 76.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.965 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.545 ' O ' ' N ' ' A' ' 38' ' ' ALA . 41.7 t -54.68 -74.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.018 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.747 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 30.2 t -48.42 -56.26 8.67 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.55 -44.27 0.29 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 119.349 -1.405 . . . . 0.0 109.714 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' SER . 47.8 t -91.35 -71.09 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 CA-C-N 114.619 -0.79 . . . . 0.0 112.106 177.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.34 -74.82 0.35 Allowed 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -177.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.747 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 114.169 -1.378 . . . . 0.0 114.027 -176.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' -16' ' ' SER . . . . . 0.687 ' O ' HD13 ' A' ' -12' ' ' LEU . 44.3 m . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 28.3 t -95.54 -23.42 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.698 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' -14' ' ' LYS . . . . . 0.464 ' O ' HG23 ' A' ' -10' ' ' VAL . 0.0 OUTLIER -80.94 -35.75 31.85 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.307 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.42 -39.49 58.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.816 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' -12' ' ' LEU . . . . . 0.687 HD13 ' O ' ' A' ' -16' ' ' SER . 7.2 mp -69.55 -25.75 64.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.708 179.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -34.09 74.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.028 0.442 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' -10' ' ' VAL . . . . . 0.772 HG12 ' HD2' ' A' ' -6' ' ' LYS . 21.5 t -74.54 -55.2 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -30.37 66.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.931 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.38 -80.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.049 0.452 . . . . 0.0 111.051 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -24.92 30.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.195 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' -6' ' ' LYS . . . . . 0.772 ' HD2' HG12 ' A' ' -10' ' ' VAL . 3.5 mttp -53.91 -67.21 0.28 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -85.32 17.9 2.9 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.553 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--N 1.321 -0.652 0 CA-C-O 121.326 0.584 . . . . 0.0 110.757 179.621 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.561 -0.216 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.882 ' O ' HG23 ' A' ' 34' ' ' VAL . 43.5 mt -57.96 -30.08 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.784 0.326 . . . . 0.0 111.058 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -50.4 -64.96 0.65 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.987 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 m -57.88 -32.81 68.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.434 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.449 ' CD2' HG23 ' A' ' 30' ' ' ILE . 0.5 OUTLIER -67.11 -35.14 79.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.449 179.631 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 30' ' ' ILE . 48.8 t -54.7 -71.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.742 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.737 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -48.81 -52.56 23.33 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -179.089 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.57 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.84 -44.12 0.46 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 178.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.4 t -91.46 -72.18 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.912 0 CA-C-N 114.502 -0.849 . . . . 0.0 111.942 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.43 -75.36 0.33 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -177.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.737 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 1.7 t . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 114.037 -1.438 . . . . 0.0 114.287 -176.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.928 0.395 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.77 -23.31 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.765 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' -14' ' ' LYS . . . . . 0.523 ' O ' HG23 ' A' ' -10' ' ' VAL . 12.3 tppt? -85.72 -33.87 21.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -80.59 -33.93 35.63 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.946 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 4.1 tp -79.35 -23.84 43.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.807 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.16 -32.56 70.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' -10' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' -14' ' ' LYS . 25.9 t -74.52 -49.76 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -42.25 75.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.005 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -72.66 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.224 0.535 . . . . 0.0 110.931 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 1.9 ptm -54.66 -24.35 21.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.9 -67.74 0.24 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -85.34 17.89 2.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.623 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.321 -0.669 0 CA-C-O 121.263 0.554 . . . . 0.0 110.624 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.901 ' O ' HG23 ' A' ' 34' ' ' VAL . 44.9 mt -59.67 -34.34 54.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 111.088 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -52.86 -66.59 0.36 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.775 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 m -58.48 -30.72 67.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.371 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.441 ' HB3' ' HA ' ' A' ' 30' ' ' ILE . 2.1 t80 -65.58 -44.63 86.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.429 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 30' ' ' ILE . 50.5 t -54.74 -74.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.737 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -48.63 -53.75 17.34 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -178.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.559 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.83 -43.81 0.44 Allowed Glycine 0 C--N 1.318 -0.425 0 C-N-CA 119.19 -1.481 . . . . 0.0 109.537 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.1 t -91.47 -71.97 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.914 0 CA-C-N 114.57 -0.815 . . . . 0.0 111.949 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.34 -75.43 0.32 Allowed 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -177.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.737 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 114.055 -1.429 . . . . 0.0 114.226 -176.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.96 0.41 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.62 -22.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.715 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -86.95 -31.6 20.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -81.8 -34.65 30.17 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.064 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' -12' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' -12' ' ' LEU . 6.9 tt -80.25 -24.47 40.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.167 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -87.2 -30.65 20.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.967 0.413 . . . . 0.0 111.068 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' -10' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' -9' ' ' LYS . 12.0 p -74.5 -41.32 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' -9' ' ' LYS . . . . . 0.41 ' N ' HG13 ' A' ' -10' ' ' VAL . 1.2 mptt -57.92 -39.97 79.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.94 -70.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.106 0.479 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 9.7 ptm -52.89 -37.91 61.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.91 -59.23 5.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.766 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -85.31 16.73 3.47 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.932 0.396 . . . . 0.0 111.293 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 121.317 0.58 . . . . 0.0 109.957 178.628 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.91 ' O ' HG23 ' A' ' 34' ' ' VAL . 55.2 mt -56.73 -27.1 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.72 0.295 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.91 -66.54 0.37 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 m -57.41 -33.1 67.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.523 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.477 ' CD2' HG23 ' A' ' 30' ' ' ILE . 0.5 OUTLIER -64.34 -44.37 91.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.542 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 30' ' ' ILE . 48.1 t -54.56 -73.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.734 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -48.67 -55.97 9.82 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.576 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.49 -44.04 0.27 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 119.361 -1.399 . . . . 0.0 109.683 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' SER . 51.8 t -91.13 -71.57 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.932 0 CA-C-N 114.612 -0.794 . . . . 0.0 111.895 177.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.52 -74.83 0.35 Allowed 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 114.652 1.352 . . . . 0.0 114.652 -177.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.734 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 114.075 -1.42 . . . . 0.0 114.148 -176.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 40.6 t -95.69 -25.18 4.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.642 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' -14' ' ' LYS . . . . . 0.553 ' O ' HG23 ' A' ' -10' ' ' VAL . 0.5 OUTLIER -84.23 -33.6 24.07 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.413 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.83 -36.9 41.85 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.879 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 8.4 tt -75.84 -24.26 55.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.712 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.07 -25.24 61.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.988 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' -10' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' -14' ' ' LYS . 21.5 t -72.02 -45.45 63.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -61.23 -28.47 69.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -60.08 -45.77 91.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.099 0.476 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' -7' ' ' MET . . . . . 0.457 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 2.6 ptm -76.31 -28.16 56.84 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' -6' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' -7' ' ' MET . 0.5 OUTLIER -54.19 -53.78 48.76 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.148 -179.832 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -85.06 16.51 3.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.961 0.41 . . . . 0.0 111.328 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' -4' ' ' LEU . . . . . 0.457 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.536 0 CA-C-O 121.515 0.674 . . . . 0.0 109.895 178.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.352 -0.299 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.724 ' O ' HG23 ' A' ' 34' ' ' VAL . 18.7 mt -61.44 -35.08 64.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.857 0.36 . . . . 0.0 110.988 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -56.27 -60.83 2.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 p -60.51 -33.93 73.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.106 0.479 . . . . 0.0 110.168 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.406 ' HB3' ' HA ' ' A' ' 30' ' ' ILE . 1.2 t80 -60.36 -55.65 31.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.26 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 30' ' ' ILE . 47.3 t -54.72 -71.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.755 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.727 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 10.2 t -48.11 -57.14 6.25 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.561 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.9 -45.14 0.38 Allowed Glycine 0 C--N 1.319 -0.416 0 C-N-CA 119.266 -1.445 . . . . 0.0 109.823 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -91.42 -69.11 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 CA-C-N 114.704 -0.748 . . . . 0.0 112.229 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.592 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.53 -74.96 0.35 Allowed 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -177.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.727 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 114.154 -1.385 . . . . 0.0 114.072 -176.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' -16' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' -12' ' ' LEU . 57.7 m . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.87 0.367 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.1 t -95.53 -22.9 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.654 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' -14' ' ' LYS . . . . . 0.685 ' O ' HG23 ' A' ' -10' ' ' VAL . 0.9 OUTLIER -81.2 -32.12 33.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.172 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -76.53 -42.51 42.83 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.851 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' -12' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' -16' ' ' SER . 1.0 OUTLIER -70.55 -24.66 62.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.625 179.315 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -72.08 -29.62 64.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' -10' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' -14' ' ' LYS . 30.2 t -74.5 -43.33 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.019 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -59.05 -33.41 70.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.81 -68.21 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.084 0.469 . . . . 0.0 110.95 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' -7' ' ' MET . . . . . 0.404 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 3.9 ptm -60.18 -26.91 66.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.946 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -64.91 0.67 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.23 17.73 2.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 111.625 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' -4' ' ' LEU . . . . . 0.404 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.9 OUTLIER . . . . . 0 C--N 1.32 -0.7 0 CA-C-O 121.325 0.583 . . . . 0.0 110.638 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.649 -0.18 . . . . 0.0 112.649 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.742 ' O ' HG23 ' A' ' 34' ' ' VAL . 60.6 mt -59.28 -29.68 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.733 0.302 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -55.09 -56.17 22.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.926 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -34.12 74.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.58 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -64.44 -40.01 94.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.816 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 30' ' ' ILE . 56.0 t -54.68 -73.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.721 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 18.7 t -48.11 -56.97 6.52 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -178.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.577 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.91 -44.76 0.37 Allowed Glycine 0 C--N 1.319 -0.383 0 C-N-CA 119.221 -1.466 . . . . 0.0 109.859 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.4 t -91.51 -69.7 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-N 114.643 -0.779 . . . . 0.0 112.197 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.4 -74.9 0.35 Allowed 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -177.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.721 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 114.151 -1.386 . . . . 0.0 114.017 -176.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.159 0 CA-C-O 121.003 0.43 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 26.1 t -95.59 -25.1 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.56 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' -14' ' ' LYS . . . . . 0.856 ' O ' HG23 ' A' ' -10' ' ' VAL . 0.3 OUTLIER -85.55 -30.27 23.51 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.3 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -79.44 -38.67 34.1 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.094 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' -12' ' ' LEU . . . . . 0.833 HD13 ' O ' ' A' ' -12' ' ' LEU . 1.4 tm? -76.02 -25.67 55.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.839 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -72.18 -31.73 66.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.014 0.435 . . . . 0.0 110.888 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' -10' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' -14' ' ' LYS . 21.7 t -74.46 -42.34 49.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.131 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -26.91 43.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.246 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -55.84 -77.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.051 0.453 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -61.03 -35.28 76.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.933 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' -6' ' ' LYS . . . . . 0.815 ' HG3' HG12 ' A' ' -10' ' ' VAL . 8.9 mtmt -54.04 -52.93 59.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -85.14 16.28 3.64 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.972 0.415 . . . . 0.0 111.29 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 22.4 tp . . . . . 0 C--N 1.323 -0.58 0 CA-C-O 121.489 0.662 . . . . 0.0 109.776 178.502 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.183 -0.367 . . . . 0.0 112.183 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.708 ' O ' HG23 ' A' ' 34' ' ' VAL . 26.0 mt -62.72 -29.43 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.61 -66.17 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.778 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 t -55.95 -32.18 63.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.098 0.475 . . . . 0.0 110.403 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.423 ' HD2' HG23 ' A' ' 30' ' ' ILE . 1.7 t80 -63.92 -60.04 3.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.259 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 30' ' ' ILE . 36.8 t -54.58 -68.77 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.231 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.725 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.75 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 48.3 t -48.29 -56.04 9.05 Favored 'General case' 0 CA--C 1.506 -0.738 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.87 -45.57 0.4 Allowed Glycine 0 C--N 1.319 -0.395 0 C-N-CA 119.24 -1.457 . . . . 0.0 109.675 178.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.3 t -91.5 -69.26 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 114.665 -0.767 . . . . 0.0 112.298 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.591 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.28 -74.83 0.35 Allowed 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -177.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.75 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 114.147 -1.388 . . . . 0.0 114.005 -176.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.916 0.389 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.1 t -95.46 -23.73 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.627 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -31.79 24.31 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' -13' ' ' GLU . . . . . 0.562 ' O ' HG12 ' A' ' -10' ' ' VAL . 19.6 tt0 -79.77 -35.11 39.17 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.202 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' -12' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' -12' ' ' LEU . 5.2 tt -81.16 -20.97 40.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.372 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -87.91 -28.75 21.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.886 0.374 . . . . 0.0 111.45 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' -10' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' -13' ' ' GLU . 14.4 p -68.74 -28.93 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -45.47 67.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.59 -56.11 26.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.024 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' -7' ' ' MET . . . . . 0.416 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 1.7 ptm -59.62 -31.19 69.27 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -54.02 -61.74 2.11 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.14 17.35 3.03 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.913 0.387 . . . . 0.0 111.658 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' -4' ' ' LEU . . . . . 0.416 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.7 OUTLIER . . . . . 0 C--N 1.322 -0.619 0 CA-C-O 121.368 0.604 . . . . 0.0 110.457 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.309 -0.316 . . . . 0.0 112.309 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.903 ' O ' HG23 ' A' ' 34' ' ' VAL . 4.6 mp -64.8 -31.81 55.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.752 0.311 . . . . 0.0 110.975 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -53.32 -66.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.07 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.9 -30.66 67.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -67.46 -47.26 70.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.727 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 30' ' ' ILE . 60.3 t -54.68 -73.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.738 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -48.78 -52.89 21.46 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.565 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.75 -43.81 0.43 Allowed Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 178.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.0 t -91.48 -72.35 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 CA-C-N 114.503 -0.848 . . . . 0.0 111.855 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.37 -75.03 0.34 Allowed 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -177.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.738 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 1.8 t . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 114.154 -1.385 . . . . 0.0 114.347 -176.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 59.4 p . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.944 0.402 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 18.6 t -95.69 -25.65 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.63 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -83.28 -34.02 25.85 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.71 -36.7 43.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.819 178.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -73.26 -25.43 60.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.694 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.47 -24.73 63.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.959 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.06 -46.86 44.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -37.86 70.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -50.75 -74.1 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -23.79 67.37 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -52.63 -32.43 41.8 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -66.99 -135.96 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.132 -1.395 . . . . 0.0 108.024 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' -4' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' -4' ' ' LEU . 9.9 tt . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.661 -0.175 . . . . 0.0 112.661 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.894 ' O ' HG23 ' A' ' 34' ' ' VAL . 75.5 mt -57.71 -32.78 43.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.689 0.28 . . . . 0.0 111.148 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -50.45 -63.5 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -60.81 -32.44 71.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -66.9 -39.18 87.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.987 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 30' ' ' ILE . 60.0 t -54.73 -75.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.016 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.737 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 9.1 p -48.58 -54.57 13.99 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.572 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.31 -44.04 0.38 Allowed Glycine 0 C--N 1.319 -0.406 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 178.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.2 t -91.29 -71.53 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-N 114.583 -0.809 . . . . 0.0 111.93 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.34 -74.89 0.35 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -177.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.737 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 114.188 -1.369 . . . . 0.0 114.248 -176.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' -16' ' ' SER . . . . . 0.56 ' O ' HD12 ' A' ' -12' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.887 0.375 . . . . 0.0 110.945 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.56 -24.05 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.586 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' -14' ' ' LYS . . . . . 0.428 ' O ' HG23 ' A' ' -10' ' ' VAL . 5.7 ttmt -81.55 -32.29 32.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.79 -40.83 46.83 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.909 178.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' -12' ' ' LEU . . . . . 0.56 HD12 ' O ' ' A' ' -16' ' ' SER . 0.4 OUTLIER -70.29 -25.11 63.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.687 179.324 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -33.93 75.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.077 0.465 . . . . 0.0 110.801 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' -10' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' -14' ' ' LYS . 24.1 t -74.61 -29.62 23.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.144 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -56.44 -28.24 58.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.161 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -73.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.108 0.48 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -32.22 58.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -62.79 1.42 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -85.4 17.82 2.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.561 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 5.8 tp . . . . . 0 C--N 1.322 -0.597 0 CA-C-O 121.274 0.559 . . . . 0.0 110.542 179.469 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.644 -0.182 . . . . 0.0 112.644 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.889 ' O ' HG23 ' A' ' 34' ' ' VAL . 56.1 mt -58.0 -25.55 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.722 0.296 . . . . 0.0 111.22 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -52.39 -66.32 0.4 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.106 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 p -60.29 -32.51 71.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.713 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -64.72 -46.71 81.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 30' ' ' ILE . 59.3 t -58.16 -75.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.69 ' HA ' ' N ' ' A' ' 39' ' ' SER . 0.7 OUTLIER -47.84 -33.3 7.17 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.532 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.69 -49.37 47.28 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 108.291 -1.923 . . . . 0.0 108.291 177.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.0 t -91.96 -60.59 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-N 114.182 -1.009 . . . . 0.0 113.142 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.619 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -82.9 -73.45 0.4 Allowed 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 -175.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.69 ' N ' ' HA ' ' A' ' 35' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.584 0 CA-C-N 114.231 -1.35 . . . . 0.0 114.0 -174.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' -16' ' ' SER . . . . . 0.675 ' O ' HD12 ' A' ' -12' ' ' LEU . 12.6 p . . . . . 0 C--O 1.234 0.238 0 CA-C-O 120.846 0.355 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.71 -23.32 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.744 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -82.81 -32.85 27.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -78.57 -38.22 40.73 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.766 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' -12' ' ' LEU . . . . . 0.675 HD12 ' O ' ' A' ' -16' ' ' SER . 13.3 mt -71.94 -25.28 61.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.698 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -26.73 65.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.979 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 27.8 t -74.35 -66.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.187 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.84 -27.8 5.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.298 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -78.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.103 0.477 . . . . 0.0 110.941 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 2.0 ptm -56.38 -33.16 65.46 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -53.84 -62.47 1.63 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.829 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.35 17.78 2.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.874 0.369 . . . . 0.0 111.361 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' -4' ' ' LEU . . . . . 0.462 HD23 ' C ' ' A' ' -4' ' ' LEU . 10.2 tt . . . . . 0 C--N 1.322 -0.616 0 CA-C-O 121.312 0.577 . . . . 0.0 110.631 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.544 -0.223 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.913 ' O ' HG23 ' A' ' 34' ' ' VAL . 44.9 mm -60.22 -39.14 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.758 0.313 . . . . 0.0 111.067 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -52.85 -63.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.0 m -61.11 -31.21 70.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.603 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -66.35 -47.94 71.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.602 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 30' ' ' ILE . 46.6 t -54.6 -72.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.744 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 12.2 p -48.63 -54.2 15.6 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.574 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.41 -44.62 0.43 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 119.275 -1.44 . . . . 0.0 109.515 178.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.7 t -91.35 -70.96 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 CA-C-N 114.552 -0.824 . . . . 0.0 111.976 177.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.29 -75.04 0.34 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -177.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.744 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 114.203 -1.362 . . . . 0.0 114.079 -176.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' -16' ' ' SER . . . . . 0.613 ' O ' HD13 ' A' ' -12' ' ' LEU . 66.1 m . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.6 t -95.56 -22.03 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.688 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' -14' ' ' LYS . . . . . 0.6 ' O ' HG23 ' A' ' -10' ' ' VAL . 0.0 OUTLIER -83.21 -32.33 26.58 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.252 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.99 -39.9 40.87 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.878 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' -12' ' ' LEU . . . . . 0.613 HD13 ' O ' ' A' ' -16' ' ' SER . 8.3 mp -72.08 -25.19 61.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.688 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -71.86 -25.45 61.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.976 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' -10' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' -14' ' ' LYS . 21.4 t -74.28 -44.25 49.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.095 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -29.86 60.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.035 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -78.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.987 0.422 . . . . 0.0 110.831 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' -7' ' ' MET . . . . . 0.412 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 0.3 OUTLIER -51.6 -28.23 13.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.146 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -53.85 -67.85 0.23 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -85.35 17.71 3.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 0.0 111.687 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' -4' ' ' LEU . . . . . 0.412 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.2 OUTLIER . . . . . 0 C--N 1.321 -0.635 0 CA-C-O 121.328 0.585 . . . . 0.0 110.524 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.787 ' O ' HG23 ' A' ' 34' ' ' VAL . 71.1 mt -59.39 -29.91 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.721 0.296 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -55.53 -57.22 12.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.82 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 m -61.29 -32.65 72.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.577 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -64.97 -47.95 75.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.818 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 30' ' ' ILE . 38.9 t -54.63 -73.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.038 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.733 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 16.4 p -48.68 -54.14 15.97 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.573 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.42 -44.22 0.41 Allowed Glycine 0 C--N 1.319 -0.369 0 C-N-CA 119.282 -1.437 . . . . 0.0 109.528 178.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.3 t -91.35 -71.41 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-N 114.508 -0.846 . . . . 0.0 111.86 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.48 -74.9 0.35 Allowed 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -177.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.733 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 114.176 -1.375 . . . . 0.0 114.317 -176.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' -16' ' ' SER . . . . . 0.475 ' O ' HD12 ' A' ' -12' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.872 0.367 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 30.7 t -95.54 -22.61 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.638 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -31.73 24.1 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.48 -35.57 34.6 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.977 178.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' -12' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' -16' ' ' SER . 31.5 mt -77.85 -23.56 48.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.857 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -77.33 -37.74 51.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.046 0.451 . . . . 0.0 111.058 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' -10' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' -9' ' ' LYS . 10.7 p -74.44 -43.39 49.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' -9' ' ' LYS . . . . . 0.443 ' N ' HG13 ' A' ' -10' ' ' VAL . 1.5 ttmt -66.38 -28.3 68.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' -8' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' -4' ' ' LEU . 1.7 tt0 -56.98 -42.53 80.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 64.8 mtm -56.65 -43.03 79.93 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.749 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -53.89 -55.31 27.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.335 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -85.47 17.31 3.25 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.3 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' -4' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' -8' ' ' GLU . 8.0 tt . . . . . 0 C--N 1.323 -0.553 0 CA-C-O 121.426 0.631 . . . . 0.0 110.428 179.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.898 ' O ' HG23 ' A' ' 34' ' ' VAL . 33.8 mm -63.23 -28.28 44.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.689 0.28 . . . . 0.0 111.098 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.33 -62.43 1.66 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.068 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.5 m -59.95 -34.8 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -63.92 -50.47 68.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 30' ' ' ILE . 44.6 t -54.66 -74.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.734 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 9.5 p -48.62 -54.74 13.46 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.576 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.29 -44.43 0.4 Allowed Glycine 0 C--N 1.32 -0.332 0 C-N-CA 119.209 -1.472 . . . . 0.0 109.568 178.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.0 t -91.43 -70.99 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.895 0 CA-C-N 114.57 -0.815 . . . . 0.0 112.01 177.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.38 -74.62 0.36 Allowed 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 -177.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.734 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 114.212 -1.358 . . . . 0.0 114.193 -176.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' -16' ' ' SER . . . . . 0.401 ' CB ' ' HB2' ' A' ' -13' ' ' GLU . 19.0 m . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.3 t -95.64 -22.15 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' -14' ' ' LYS . . . . . 0.717 ' O ' HG23 ' A' ' -10' ' ' VAL . 8.1 ttmt -84.11 -35.0 24.01 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' -13' ' ' GLU . . . . . 0.401 ' HB2' ' CB ' ' A' ' -16' ' ' SER . 0.5 OUTLIER -79.33 -35.33 41.21 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.761 178.886 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 21.2 tp -75.45 -24.43 57.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.888 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -74.82 -37.47 62.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.145 0.497 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' -10' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' -14' ' ' LYS . 21.9 t -74.44 -24.96 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.268 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -28.98 24.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.193 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -60.26 -40.57 90.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.09 0.471 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' -7' ' ' MET . . . . . 0.415 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 1.6 mpp? -77.78 -39.28 44.54 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.15 -53.28 55.51 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.012 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -85.11 16.63 3.39 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.989 0.423 . . . . 0.0 111.191 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' -4' ' ' LEU . . . . . 0.415 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.545 0 CA-C-O 121.534 0.683 . . . . 0.0 109.741 178.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.311 -0.316 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.922 ' O ' HG23 ' A' ' 34' ' ' VAL . 28.7 mt -62.57 -29.72 47.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.786 0.327 . . . . 0.0 110.944 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -53.82 -65.39 0.58 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 m -57.42 -31.42 65.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.974 0.416 . . . . 0.0 110.432 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -65.39 -48.18 73.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.433 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.922 HG23 ' O ' ' A' ' 30' ' ' ILE . 35.1 t -54.7 -69.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.698 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 21.2 t -48.29 -48.71 35.64 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -178.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.53 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -39.48 -46.3 2.73 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 118.949 -1.596 . . . . 0.0 109.149 178.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.9 t -91.86 -67.53 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 114.507 -0.847 . . . . 0.0 112.683 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.603 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.41 -74.98 0.34 Allowed 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -176.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.698 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 114.169 -1.378 . . . . 0.0 114.098 -176.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.857 0.36 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 26.7 t -95.73 -25.33 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.599 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.21 -33.81 24.05 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -79.58 -34.75 40.57 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.87 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 58.4 tp -76.42 -24.59 53.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.948 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -79.32 -40.3 30.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.129 0.49 . . . . 0.0 111.063 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 9.9 p -74.43 -26.98 20.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.316 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -24.13 61.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.84 -78.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.05 0.452 . . . . 0.0 111.202 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 4.8 ptp -51.55 -35.38 40.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.201 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -60.83 2.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.33 17.01 3.3 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.969 0.414 . . . . 0.0 111.378 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.553 0 CA-C-O 121.346 0.593 . . . . 0.0 110.286 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.881 ' O ' HG23 ' A' ' 34' ' ' VAL . 21.1 mt -60.48 -32.23 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.847 0.356 . . . . 0.0 110.916 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -65.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.678 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.44 -31.78 70.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.364 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.437 ' HB3' ' HA ' ' A' ' 30' ' ' ILE . 1.7 t80 -62.42 -44.64 95.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.279 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 30' ' ' ILE . 63.7 t -59.92 -75.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.753 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.677 ' HA ' ' N ' ' A' ' 39' ' ' SER . 10.9 p -47.45 -26.73 1.44 Allowed 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.21 -50.11 71.29 Favored Glycine 0 N--CA 1.441 -1.014 0 N-CA-C 108.128 -1.989 . . . . 0.0 108.128 176.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.8 t -91.53 -56.27 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 114.273 -0.963 . . . . 0.0 112.908 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.632 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -82.8 -74.35 0.36 Allowed 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -176.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.677 ' N ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 114.265 -1.334 . . . . 0.0 113.838 -175.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 28.9 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.949 0.404 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 26.3 t -95.54 -25.62 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.506 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' -14' ' ' LYS . . . . . 0.532 ' O ' HG23 ' A' ' -10' ' ' VAL . 0.0 OUTLIER -84.16 -30.33 25.93 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.295 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.94 -39.31 34.95 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.096 178.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' -12' ' ' LEU . . . . . 0.817 HD23 ' O ' ' A' ' -12' ' ' LEU . 4.8 tt -73.26 -26.32 61.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.837 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -67.63 -32.79 73.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.999 0.428 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' -10' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' -14' ' ' LYS . 29.9 t -74.54 -33.93 33.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.145 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -55.18 -24.45 26.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.288 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -56.21 -68.33 0.22 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.089 0.471 . . . . 0.0 111.091 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 6.7 ptm -68.98 -32.57 72.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' -6' ' ' LYS . . . . . 0.444 ' HG3' HG12 ' A' ' -10' ' ' VAL . 0.2 OUTLIER -54.01 -58.88 5.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.858 -179.814 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -85.24 17.34 3.1 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 111.417 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 6.5 tp . . . . . 0 C--N 1.322 -0.622 0 CA-C-O 121.429 0.633 . . . . 0.0 110.346 179.192 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.741 -0.144 . . . . 0.0 112.741 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.881 ' O ' HG23 ' A' ' 34' ' ' VAL . 33.2 mm -53.87 -40.41 44.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.747 0.308 . . . . 0.0 111.27 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -54.65 -38.9 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.026 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 m -72.52 -45.95 56.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.072 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -44.47 97.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 30' ' ' ILE . 44.7 t -54.66 -73.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.998 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.725 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 19.8 p -48.6 -53.69 17.46 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -178.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.89 -44.23 0.47 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 119.121 -1.514 . . . . 0.0 109.569 178.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 50.7 t -91.4 -71.33 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 114.534 -0.833 . . . . 0.0 111.974 177.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.33 -74.99 0.34 Allowed 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -177.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.725 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 114.185 -1.371 . . . . 0.0 114.172 -176.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 2.7 ttt . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.808 0.337 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -88.69 53.85 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -16' ' ' SER . . . . . 0.448 ' O ' HD23 ' A' ' -12' ' ' LEU . 0.3 OUTLIER -88.07 154.25 20.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 30.8 t -95.44 -23.82 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.694 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.55 -32.25 28.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -77.1 -40.91 44.17 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.05 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -12' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' -16' ' ' SER . 4.0 mm? -74.73 -21.37 59.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.961 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.59 -36.83 84.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.029 0.442 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 29.8 t -72.62 -48.62 45.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -60.35 -39.19 86.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.696 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -65.97 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . 0.436 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 7.6 ptm -51.04 -31.64 19.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.032 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -6' ' ' LYS . . . . . 0.429 ' N ' ' HG3' ' A' ' -7' ' ' MET . 1.6 tttt -54.12 -65.16 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -85.42 17.73 3.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.711 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' LEU . . . . . 0.436 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.3 OUTLIER -89.51 -54.52 4.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.31 0.576 . . . . 0.0 110.572 179.501 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -20.63 63.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.027 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 117.37 -142.52 17.38 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -167.85 156.76 28.64 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.5 m -113.08 163.0 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 111.134 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -140.09 78.1 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 63.22 68.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.791 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.7 53.52 3.02 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.573 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -92.14 -18.31 23.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.678 0.275 . . . . 0.0 111.227 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.13 54.73 1.83 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.59 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 8' ' ' SER . 5.1 t -83.99 162.26 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.468 ' N ' HG12 ' A' ' 7' ' ' VAL . 57.7 m -133.54 178.65 6.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.096 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -78.93 117.04 19.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.763 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.485 ' C ' ' H ' ' A' ' 12' ' ' THR . 4.0 p -160.93 111.33 1.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.952 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.28 -14.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.485 ' H ' ' C ' ' A' ' 10' ' ' SER . 0.9 OUTLIER -152.01 164.34 37.41 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 120.687 0.28 . . . . 0.0 110.375 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.408 ' N ' ' CG2' ' A' ' 12' ' ' THR . 0.0 OUTLIER -53.25 147.71 9.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.982 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -104.14 50.29 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.783 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -131.78 147.74 52.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.832 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.434 HG12 ' N ' ' A' ' 17' ' ' ASN . 27.9 t -119.44 155.4 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.434 ' N ' HG12 ' A' ' 16' ' ' VAL . 28.6 t30 -106.72 62.29 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.625 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.403 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -77.19 9.85 2.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.154 -179.719 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.58 -66.39 0.49 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.063 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.93 -65.06 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' HA ' ' HB2' ' A' ' 24' ' ' GLU . . . -65.12 -3.0 3.22 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.357 0.599 . . . . 0.0 112.101 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 18' ' ' TRP . 2.7 t80 -72.05 -40.25 68.48 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 177.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -75.45 -22.01 57.66 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.317 -1.31 . . . . 0.0 109.237 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 15.2 mt-10 -65.91 -53.1 43.82 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.699 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.0 mtt85 -61.99 -28.68 69.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.09 -35.31 79.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.755 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.9 m -78.46 -47.21 17.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.75 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.49 -31.07 72.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.994 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.17 -55.91 9.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.468 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.762 ' O ' HG23 ' A' ' 34' ' ' VAL . 66.1 mt -59.22 -33.79 51.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.71 0.291 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -55.59 -56.08 24.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.653 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 t -62.18 -32.87 73.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.462 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -64.85 -41.32 95.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.748 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 30' ' ' ILE . 51.5 t -54.7 -74.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.739 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 12.1 p -48.54 -54.74 13.25 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.577 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.17 -43.9 0.35 Allowed Glycine 0 C--N 1.32 -0.338 0 C-N-CA 119.299 -1.429 . . . . 0.0 109.625 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.4 t -91.29 -71.58 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 CA-C-N 114.581 -0.809 . . . . 0.0 111.83 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.42 -75.15 0.34 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -177.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.739 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -62.73 5.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.184 -1.371 . . . . 0.0 114.173 -176.478 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -120.13 -50.95 0.28 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.613 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 53.78 38.82 29.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 111.122 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.23 32.05 1.9 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.596 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.41 ' O ' HG22 ' A' ' 44' ' ' ILE . 79.8 p -101.51 -22.18 14.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.661 0.267 . . . . 0.0 111.181 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 43' ' ' SER . 0.7 OUTLIER 43.12 45.87 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.722 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.23 29.65 7.84 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.1 ptt85 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.411 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.862 0.363 . . . . 0.0 111.252 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -88.1 84.24 6.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -16' ' ' SER . . . . . 0.457 ' O ' HD12 ' A' ' -12' ' ' LEU . 49.3 p -83.5 133.31 34.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 20.9 t -95.44 -26.0 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.494 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . 0.74 ' O ' HG23 ' A' ' -10' ' ' VAL . 0.0 OUTLIER -79.29 -36.65 39.38 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.121 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.72 -39.02 64.61 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.738 178.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' -12' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' -16' ' ' SER . 6.3 mt -66.85 -27.88 67.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.601 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.29 -27.2 59.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.946 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' -10' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' -14' ' ' LYS . 21.8 t -74.42 -34.21 35.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -60.39 -30.45 69.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -59.74 -68.58 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.131 0.491 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -55.24 -30.68 60.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.937 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -61.89 2.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.766 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -85.31 17.3 3.16 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.901 0.381 . . . . 0.0 111.325 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' -4' ' ' LEU . 0.4 OUTLIER -89.81 -45.44 9.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.336 0.589 . . . . 0.0 110.184 179.062 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -110.51 27.35 9.73 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -58.41 122.08 28.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.544 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 162.52 84.58 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.8 p -102.24 127.53 55.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.781 0.324 . . . . 0.0 111.073 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -161.92 37.59 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -177.9 39.68 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.675 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.76 47.86 0.38 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.538 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.08 -20.84 13.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.75 0.31 . . . . 0.0 111.163 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.23 57.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.531 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 8' ' ' SER . 5.8 t -74.25 162.27 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.792 0.329 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.47 ' N ' HG12 ' A' ' 7' ' ' VAL . 1.6 t 51.99 -179.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.223 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.409 ' N ' ' HB3' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -76.05 126.93 31.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.488 ' C ' ' H ' ' A' ' 12' ' ' THR . 4.1 p -168.57 108.67 0.5 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.706 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tptm 62.96 -8.5 0.12 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.364 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.488 ' H ' ' C ' ' A' ' 10' ' ' SER . 0.9 OUTLIER -152.38 164.48 37.41 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.728 0.299 . . . . 0.0 110.376 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 141.28 55.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.654 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.409 ' HB3' ' N ' ' A' ' 9' ' ' CYS . 1.2 p -98.16 50.94 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.977 0.417 . . . . 0.0 110.792 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.4 p -131.79 90.54 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.835 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.497 HG22 ' N ' ' A' ' 17' ' ' ASN . 11.8 p -58.6 159.55 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.255 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.497 ' N ' HG22 ' A' ' 16' ' ' VAL . 4.2 m120 -137.51 77.5 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.672 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.404 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 1.2 m95 -77.07 4.39 10.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.969 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.48 ' O ' ' HB3' ' A' ' 22' ' ' PHE . . . -114.93 -60.72 0.37 Allowed Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.927 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -56.53 -64.59 0.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.821 -0.223 . . . . 0.0 110.495 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . . . -65.19 -3.98 4.53 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 120.395 -0.522 . . . . 0.0 112.256 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.48 ' HB3' ' O ' ' A' ' 19' ' ' GLY . 34.2 t80 -70.85 -42.19 70.45 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -73.2 -22.74 60.39 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.166 177.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.427 ' CG ' ' HA ' ' A' ' 21' ' ' ALA . 72.9 mm-40 -70.7 -48.53 54.24 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.984 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -55.07 -28.59 53.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.163 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.41 -48.8 74.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.414 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.6 m -78.14 -40.16 38.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.68 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.83 -35.83 77.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.073 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.04 -56.84 12.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.391 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.547 ' O ' HG23 ' A' ' 34' ' ' VAL . 45.8 mt -60.0 -27.78 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 110.98 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -55.43 -66.39 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.829 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.43 -31.77 64.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.488 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.406 ' HD2' HG23 ' A' ' 30' ' ' ILE . 1.3 t80 -63.12 -59.19 5.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.266 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 30' ' ' ILE . 64.5 t -54.66 -74.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.708 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.73 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -48.75 -52.86 21.5 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.92 -43.53 0.43 Allowed Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 178.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.0 t -91.43 -72.56 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-N 114.457 -0.871 . . . . 0.0 111.906 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.41 -75.24 0.33 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -177.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.73 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 1.7 t -62.78 6.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.0 -1.454 . . . . 0.0 114.309 -176.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -140.34 -67.69 0.04 OUTLIER Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.516 -0.85 . . . . 0.0 112.513 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 56.48 54.95 6.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 111.207 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.91 72.9 1.28 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.598 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.486 ' O ' HG22 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -109.17 58.79 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.729 0.3 . . . . 0.0 110.88 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.486 HG22 ' O ' ' A' ' 43' ' ' SER . 5.7 tp 44.24 39.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.151 0.5 . . . . 0.0 111.492 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.62 -125.53 5.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.889 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 8.1 mmt . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.853 0.358 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -88.75 54.9 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -16' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' -12' ' ' LEU . 17.2 t -75.19 134.34 41.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.074 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 19.0 t -95.5 -24.55 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.561 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.7 -30.44 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 178.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -13' ' ' GLU . . . . . 0.559 ' O ' HG12 ' A' ' -10' ' ' VAL . 30.7 tt0 -77.57 -41.18 39.78 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.049 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -12' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' -12' ' ' LEU . 0.1 OUTLIER -72.82 -24.02 60.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.934 179.443 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -36.37 57.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.079 0.466 . . . . 0.0 110.963 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -10' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' -13' ' ' GLU . 9.6 p -74.39 -30.23 25.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.101 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -64.04 -40.64 96.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.17 -44.1 95.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.101 0.476 . . . . 0.0 111.025 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . 0.462 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 6.6 ptm -73.75 -30.11 62.6 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.998 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -6' ' ' LYS . . . . . 0.497 ' NZ ' HG22 ' A' ' -10' ' ' VAL . 0.1 OUTLIER -54.78 -58.98 5.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.356 -179.731 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -85.03 16.69 3.29 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.932 0.396 . . . . 0.0 111.498 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' LEU . . . . . 0.462 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.4 OUTLIER -90.43 -71.99 0.59 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.456 0.646 . . . . 0.0 109.896 178.499 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 4.4 t60 45.37 31.0 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.135 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -148.68 -174.23 20.15 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.432 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . 0.507 ' O ' HG22 ' A' ' 1' ' ' VAL . . . -108.74 161.93 13.07 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.366 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' -1' ' ' GLY . 21.1 m 44.97 -169.41 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 120.748 0.308 . . . . 0.0 111.611 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -131.72 73.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.939 0.399 . . . . 0.0 110.697 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 64.95 40.37 5.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.779 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.83 -47.29 1.06 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.462 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 63.84 5.64 2.39 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 58.33 42.44 95.58 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.58 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.697 HG13 ' N ' ' A' ' 8' ' ' SER . 1.0 OUTLIER -101.57 -160.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.758 0.313 . . . . 0.0 110.855 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.697 ' N ' HG13 ' A' ' 7' ' ' VAL . 2.0 m -152.65 130.73 11.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.8 m -119.57 114.95 23.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.929 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.8 m -156.72 116.49 3.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 tttm 62.89 3.59 1.25 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.152 -0.477 . . . . 0.0 112.204 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.43 ' CG2' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -152.06 165.77 33.69 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.357 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.43 ' N ' ' CG2' ' A' ' 12' ' ' THR . 0.1 OUTLIER -52.06 178.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.73 0.3 . . . . 0.0 110.642 179.681 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.7 m -94.88 33.5 1.48 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.819 0.342 . . . . 0.0 111.038 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.7 t -161.92 78.09 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.69 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.3 p -53.47 142.23 6.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.326 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.464 ' HB2' ' CB ' ' A' ' 21' ' ' ALA . 53.3 p30 179.71 39.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.821 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -77.01 -38.72 52.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.517 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.402 ' O ' ' CB ' ' A' ' 22' ' ' PHE . . . -102.23 -49.86 1.19 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.165 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -54.83 -61.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 17' ' ' ASN . . . -65.52 -4.81 6.47 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.344 0.592 . . . . 0.0 112.166 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 5.3 t80 -70.26 -40.7 74.24 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 177.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -21.93 54.32 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.255 177.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.457 ' CG ' ' HA ' ' A' ' 21' ' ' ALA . 6.3 mm-40 -67.07 -52.2 44.96 Favored 'General case' 0 C--N 1.338 0.103 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.933 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -55.54 -28.68 56.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.239 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -69.94 -45.52 67.29 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.61 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.7 m -78.15 -34.78 49.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.814 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.76 -33.61 76.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.985 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.72 -54.01 6.9 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.448 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.598 ' O ' HG23 ' A' ' 34' ' ' VAL . 34.5 mt -63.27 -29.97 48.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 111.044 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.46 -56.43 21.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.777 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.3 t -61.18 -32.87 72.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.622 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -63.45 -54.32 38.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.784 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 30' ' ' ILE . 48.1 t -54.78 -73.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.993 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.729 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 48.1 t -48.21 -55.98 9.09 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.558 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.31 -44.29 0.4 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 119.273 -1.441 . . . . 0.0 109.758 178.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.6 t -91.47 -70.54 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 CA-C-N 114.628 -0.786 . . . . 0.0 112.102 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.47 -75.1 0.34 Allowed 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -177.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.729 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -63.91 9.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.101 -1.409 . . . . 0.0 113.986 -176.575 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -144.09 -66.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.544 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 56.43 30.53 17.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.785 0.326 . . . . 0.0 111.188 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.23 57.9 16.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.574 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 p -74.96 -26.32 59.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.373 . . . . 0.0 111.012 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.531 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.4 tp -163.84 51.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.161 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 123.18 -77.78 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.486 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.89 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 120.939 0.4 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -88.75 80.63 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 2.5 p -89.11 141.72 28.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.979 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 16.2 t -95.76 -23.14 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.73 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . 0.651 ' O ' HG23 ' A' ' -10' ' ' VAL . 4.8 ttpt -84.66 -35.31 22.71 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -79.03 -35.74 42.2 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.913 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 3.2 tp -76.8 -23.67 52.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.785 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -74.22 -24.67 59.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.032 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -10' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' -14' ' ' LYS . 18.4 t -74.38 -47.54 39.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.405 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -37.16 45.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.161 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.55 -74.3 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.971 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 15.5 ptm -55.42 -24.34 29.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.118 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -6' ' ' LYS . . . . . 0.619 ' HE2' HG12 ' A' ' -10' ' ' VAL . 0.3 OUTLIER -54.12 -57.26 11.79 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.821 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -85.34 16.86 3.4 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.914 0.388 . . . . 0.0 111.215 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 23.4 tp -90.17 -71.84 0.6 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.365 0.602 . . . . 0.0 109.963 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 45.42 30.89 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.145 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 132.22 -169.19 22.28 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.562 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -88.52 106.05 3.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.512 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.2 p -143.35 143.94 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.811 0.339 . . . . 0.0 111.094 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -152.39 59.08 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 60.26 79.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.38 -102.33 1.87 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -104.5 -20.93 13.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.765 0.317 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.63 45.25 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.574 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.715 HG13 ' N ' ' A' ' 8' ' ' SER . 0.5 OUTLIER 41.09 -161.63 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-O 120.833 0.349 . . . . 0.0 111.749 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.715 ' N ' HG13 ' A' ' 7' ' ' VAL . 4.9 m -139.66 119.26 13.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.463 ' HB3' ' HA ' ' A' ' 14' ' ' CYS . 1.2 p -48.64 173.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.422 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 p -166.82 111.08 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.586 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 60.32 6.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.008 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -151.97 165.48 34.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.456 -179.817 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.415 ' N ' ' CG2' ' A' ' 12' ' ' THR . 0.1 OUTLIER -53.26 153.34 3.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.84 0.352 . . . . 0.0 111.086 179.863 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.463 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -99.96 37.24 1.67 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.792 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.64 149.01 40.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.184 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.488 HG22 ' N ' ' A' ' 17' ' ' ASN . 11.6 p -94.75 160.1 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.971 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.488 ' N ' HG22 ' A' ' 16' ' ' VAL . 1.5 t-20 -179.37 98.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.778 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.423 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 1.3 t90 -73.47 -2.65 23.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.809 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.511 ' O ' ' HB3' ' A' ' 22' ' ' PHE . . . -114.87 -51.7 0.44 Allowed Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.853 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -59.14 -66.55 0.49 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' HA ' ' HB2' ' A' ' 24' ' ' GLU . . . -65.29 -3.09 3.6 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.511 ' HB3' ' O ' ' A' ' 19' ' ' GLY . 80.8 t80 -72.68 -41.45 65.32 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 177.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.63 -22.5 59.98 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.358 -1.292 . . . . 0.0 109.097 177.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.425 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 7.5 mm-40 -67.77 -35.85 79.44 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.822 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.8 mtm-85 -54.24 -28.2 39.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.168 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -64.55 -49.09 72.6 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.342 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.2 m -69.62 -39.41 77.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.603 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.46 -33.36 75.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.951 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.78 -50.17 55.04 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.285 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.456 ' O ' HG23 ' A' ' 34' ' ' VAL . 28.3 mt -59.83 -30.57 45.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.738 0.304 . . . . 0.0 110.82 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -56.76 -52.25 65.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.543 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.6 t -60.7 -33.27 72.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.193 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -56.03 23.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.28 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 38' ' ' ALA . 24.1 t -54.78 -70.62 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.624 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.729 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 18.8 p -48.72 -53.64 18.08 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.575 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.55 -44.63 0.45 Allowed Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 178.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.9 t -91.41 -70.88 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 114.51 -0.845 . . . . 0.0 111.961 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.31 -75.26 0.33 Allowed 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -177.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.729 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -63.2 6.76 0.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.208 -1.36 . . . . 0.0 114.21 -176.515 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -116.04 37.9 3.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.541 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.13 -82.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.945 0.402 . . . . 0.0 111.186 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.24 -38.56 3.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.488 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.424 ' O ' HG22 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -94.35 45.61 1.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.758 0.313 . . . . 0.0 110.848 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 43' ' ' SER . 0.8 OUTLIER 43.33 45.32 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.614 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.89 -92.62 1.25 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.856 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 120.85 0.357 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -89.64 94.05 9.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.73 106.17 18.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.787 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.75 -23.35 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.47 -36.73 23.93 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -77.36 -36.17 53.92 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.681 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 36.2 tp -72.85 -26.12 61.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.618 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.42 -26.25 66.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.961 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 25.9 t -72.63 -50.19 35.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -59.37 -39.25 82.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.76 -70.69 0.17 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.783 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -52.2 -28.78 19.62 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.04 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -53.95 -65.85 0.5 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -85.42 17.78 3.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.613 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.49 -53.11 4.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.36 0.6 . . . . 0.0 110.618 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . 0.421 ' O ' HG13 ' A' ' 1' ' ' VAL . 12.9 m-70 -66.04 -21.96 66.41 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.169 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -78.68 113.67 3.74 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.475 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 85.29 43.75 6.49 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 1' ' ' VAL . 17.6 m -58.43 100.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.381 . . . . 0.0 111.224 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -159.74 38.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -176.69 38.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.22 -96.02 1.96 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.437 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.72 -87.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.694 0.283 . . . . 0.0 111.15 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.62 64.08 4.53 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.619 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 8' ' ' SER . 4.9 t -92.3 161.59 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 111.143 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.458 ' N ' HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -160.82 160.4 31.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.802 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.8 t -127.88 164.42 22.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.642 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m 63.18 19.03 11.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.262 0.553 . . . . 0.0 110.82 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -160.09 -35.44 0.06 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.803 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -150.51 167.23 27.79 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.871 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.44 ' N ' ' CG2' ' A' ' 12' ' ' THR . 0.0 OUTLIER -30.25 121.87 0.18 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.866 0.365 . . . . 0.0 111.984 -179.558 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.6 m -90.88 39.54 0.99 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.164 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.21 154.16 51.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.575 ' O ' HG22 ' A' ' 16' ' ' VAL . 11.8 p -93.7 49.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.205 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 70.96 98.5 0.07 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -7.83 49.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.472 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.413 ' O ' ' CB ' ' A' ' 22' ' ' PHE . . . -52.93 -52.14 41.23 Favored Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.084 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -54.62 -55.69 26.83 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' A' ' 24' ' ' GLU . . . -65.54 -5.97 9.55 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.376 0.608 . . . . 0.0 112.313 178.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.413 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 12.5 t80 -71.94 -41.55 67.69 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 177.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.78 -22.99 58.45 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.54 -1.209 . . . . 0.0 108.914 177.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.483 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 3.4 mm-40 -60.37 -42.91 96.78 Favored 'General case' 0 C--N 1.339 0.152 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.162 179.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -69.75 -30.73 68.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.8 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -64.8 -43.08 94.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.606 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.1 m -60.46 -37.73 81.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.718 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.82 85.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.45 -39.2 94.02 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.6 mm -60.88 -39.46 82.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.855 0.36 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.27 -46.71 87.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.759 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -33.44 72.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.773 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -63.49 -48.65 76.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.965 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.545 ' O ' ' N ' ' A' ' 38' ' ' ALA . 41.7 t -54.68 -74.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.018 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.747 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 30.2 t -48.42 -56.26 8.67 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.55 -44.27 0.29 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 119.349 -1.405 . . . . 0.0 109.714 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' SER . 47.8 t -91.35 -71.09 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 CA-C-N 114.619 -0.79 . . . . 0.0 112.106 177.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.34 -74.82 0.35 Allowed 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -177.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.747 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -65.27 12.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.169 -1.378 . . . . 0.0 114.027 -176.564 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -119.87 40.01 2.32 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.443 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.46 -83.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.89 0.376 . . . . 0.0 111.227 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.4 -96.66 0.1 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.629 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.37 -38.66 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.961 0.41 . . . . 0.0 111.162 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 44' ' ' ILE . 4.4 mp 52.25 74.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.238 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.36 61.39 0.66 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.898 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 1.4 mtt . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.857 0.361 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -88.83 66.54 8.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -16' ' ' SER . . . . . 0.687 ' O ' HD13 ' A' ' -12' ' ' LEU . 44.3 m -74.76 127.57 33.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 28.3 t -95.54 -23.42 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.698 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . 0.464 ' O ' HG23 ' A' ' -10' ' ' VAL . 0.0 OUTLIER -80.94 -35.75 31.85 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.307 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.42 -39.49 58.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.816 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -12' ' ' LEU . . . . . 0.687 HD13 ' O ' ' A' ' -16' ' ' SER . 7.2 mp -69.55 -25.75 64.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.708 179.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -34.09 74.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.028 0.442 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' -10' ' ' VAL . . . . . 0.772 HG12 ' HD2' ' A' ' -6' ' ' LYS . 21.5 t -74.54 -55.2 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -30.37 66.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.931 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.38 -80.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.049 0.452 . . . . 0.0 111.051 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -24.92 30.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.195 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' -6' ' ' LYS . . . . . 0.772 ' HD2' HG12 ' A' ' -10' ' ' VAL . 3.5 mttp -53.91 -67.21 0.28 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -85.32 17.9 2.9 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.553 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 2.5 tt -89.3 -64.37 1.15 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.326 0.584 . . . . 0.0 110.757 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -70.33 -21.6 62.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.198 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -143.1 122.37 1.89 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.547 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -100.23 30.49 10.05 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.552 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.1 t -118.99 107.35 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.317 . . . . 0.0 111.073 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -136.16 66.94 1.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 60.01 40.19 19.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.25 21.3 7.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.664 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -112.69 -20.12 11.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.783 0.325 . . . . 0.0 111.209 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 146.3 53.49 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.38 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.722 HG13 ' N ' ' A' ' 8' ' ' SER . 0.5 OUTLIER 41.25 -162.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-O 120.876 0.369 . . . . 0.0 111.786 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.722 ' N ' HG13 ' A' ' 7' ' ' VAL . 24.3 m -143.44 148.27 35.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.809 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.0 m -63.71 119.95 10.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.016 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 p -178.87 113.79 0.06 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.574 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.49 11.65 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.794 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -149.8 -7.55 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 14' ' ' CYS . 0.6 OUTLIER 54.5 25.67 6.43 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 121.32 0.581 . . . . 0.0 111.542 179.458 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 87.3 m 67.84 96.4 0.06 Allowed 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.95 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.6 p -142.38 144.08 32.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.805 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.594 ' O ' HG22 ' A' ' 16' ' ' VAL . 14.9 p -96.17 41.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.019 0.438 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m120 65.18 51.14 1.69 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.711 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.9 t90 -61.69 -22.14 65.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.148 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.63 -49.7 0.78 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.121 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -54.81 -63.6 1.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.437 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . . . -65.26 -3.82 4.49 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.292 0.568 . . . . 0.0 112.106 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -72.18 -39.61 68.53 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 177.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -77.64 -21.65 51.91 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.357 -1.292 . . . . 0.0 109.207 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.437 ' CG ' ' HA ' ' A' ' 21' ' ' ALA . 36.2 mt-10 -64.87 -42.9 94.45 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.694 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -66.16 -31.68 72.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.119 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -65.67 -47.32 75.88 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.594 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.1 m -61.72 -33.42 74.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.738 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.73 -38.53 91.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.064 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.0 -48.06 21.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.561 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.882 ' O ' HG23 ' A' ' 34' ' ' VAL . 43.5 mt -57.96 -30.08 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.784 0.326 . . . . 0.0 111.058 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -50.4 -64.96 0.65 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.987 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 m -57.88 -32.81 68.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.434 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.449 ' CD2' HG23 ' A' ' 30' ' ' ILE . 0.5 OUTLIER -67.11 -35.14 79.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.449 179.631 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 30' ' ' ILE . 48.8 t -54.7 -71.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.742 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.737 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -48.81 -52.56 23.33 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -179.089 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.57 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.84 -44.12 0.46 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 178.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.4 t -91.46 -72.18 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.912 0 CA-C-N 114.502 -0.849 . . . . 0.0 111.942 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.43 -75.36 0.33 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -177.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.737 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 1.7 t -62.98 7.31 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.037 -1.438 . . . . 0.0 114.287 -176.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -121.93 -35.3 0.78 Allowed Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.559 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -168.07 54.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 111.084 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.67 59.1 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 m -103.67 60.05 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.571 HG22 ' O ' ' A' ' 44' ' ' ILE . 4.1 mp 46.9 68.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.295 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.26 -29.71 2.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.93 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 2.2 mpp? . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.844 0.354 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -88.93 57.58 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.68 103.54 16.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.77 -23.31 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.765 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . 0.523 ' O ' HG23 ' A' ' -10' ' ' VAL . 12.3 tppt? -85.72 -33.87 21.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -80.59 -33.93 35.63 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.946 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 4.1 tp -79.35 -23.84 43.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.807 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.16 -32.56 70.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -10' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' -14' ' ' LYS . 25.9 t -74.52 -49.76 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -42.25 75.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.005 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -72.66 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.224 0.535 . . . . 0.0 110.931 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 1.9 ptm -54.66 -24.35 21.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.9 -67.74 0.24 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -85.34 17.89 2.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.623 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.31 -63.33 1.31 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.263 0.554 . . . . 0.0 110.624 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -65.82 -19.34 65.85 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -56.72 116.37 7.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.512 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 73.49 161.3 6.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 31.5 m -80.14 -179.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.734 0.302 . . . . 0.0 111.079 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -131.74 49.72 2.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.434 ' HA ' ' CZ3' ' A' ' 18' ' ' TRP . 5.2 m-85 60.77 79.06 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.958 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.38 -107.78 0.98 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.527 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -119.74 -22.04 7.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.661 0.267 . . . . 0.0 111.401 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 59.39 49.68 75.92 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.688 HG12 ' H ' ' A' ' 8' ' ' SER . 1.1 t -92.55 -164.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.495 -0.187 . . . . 0.0 110.495 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.688 ' H ' HG12 ' A' ' 7' ' ' VAL . 1.5 t 54.82 173.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.802 0.334 . . . . 0.0 111.274 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.5 m -107.87 114.62 28.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.5 p -160.51 112.31 1.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.831 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt 61.65 1.81 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.26 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.3 t -151.79 -179.92 7.87 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.777 0.323 . . . . 0.0 111.132 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 170.55 9.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.709 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.8 m -98.41 30.92 3.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.879 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.1 t -155.89 38.89 0.37 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.717 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.494 HG22 ' N ' ' A' ' 17' ' ' ASN . 10.9 p -68.4 158.86 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.494 ' N ' HG22 ' A' ' 16' ' ' VAL . 5.5 m120 -97.14 38.54 1.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.434 ' CZ3' ' HA ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -69.54 -20.22 63.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.996 179.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.01 -47.33 0.96 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.925 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -54.7 -62.79 1.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.564 ' HA ' ' HB3' ' A' ' 24' ' ' GLU . . . -65.07 -6.96 10.12 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.464 0.649 . . . . 0.0 112.101 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -67.91 -38.59 83.14 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 177.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -80.64 -25.81 38.11 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 114.266 -1.334 . . . . 0.0 109.647 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.564 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . 1.0 OUTLIER -69.87 -46.3 65.81 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.931 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -65.12 -31.11 72.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.722 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -67.75 -44.07 78.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.567 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.4 m -66.19 -37.08 84.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.698 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.28 80.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.019 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.94 -54.5 6.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.531 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.901 ' O ' HG23 ' A' ' 34' ' ' VAL . 44.9 mt -59.67 -34.34 54.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 111.088 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -52.86 -66.59 0.36 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.775 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 m -58.48 -30.72 67.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.371 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.441 ' HB3' ' HA ' ' A' ' 30' ' ' ILE . 2.1 t80 -65.58 -44.63 86.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.429 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 30' ' ' ILE . 50.5 t -54.74 -74.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.737 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -48.63 -53.75 17.34 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -178.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.559 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.83 -43.81 0.44 Allowed Glycine 0 C--N 1.318 -0.425 0 C-N-CA 119.19 -1.481 . . . . 0.0 109.537 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.1 t -91.47 -71.97 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.914 0 CA-C-N 114.57 -0.815 . . . . 0.0 111.949 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.34 -75.43 0.32 Allowed 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -177.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.737 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -63.43 9.2 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.055 -1.429 . . . . 0.0 114.226 -176.551 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -151.38 57.19 0.44 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.463 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.51 70.07 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 111.213 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.76 92.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.612 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.4 t -76.37 -65.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.171 0.51 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.573 HG22 ' O ' ' A' ' 44' ' ' ILE . 24.3 mm -107.65 40.61 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.78 -94.6 0.73 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.949 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 2.0 mmm . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.794 0.33 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -90.36 45.57 1.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.221 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 1.9 m -92.83 121.97 34.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.96 0.41 . . . . 0.0 110.997 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.62 -22.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.715 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -86.95 -31.6 20.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -81.8 -34.65 30.17 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.064 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -12' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' -12' ' ' LEU . 6.9 tt -80.25 -24.47 40.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.167 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -87.2 -30.65 20.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.967 0.413 . . . . 0.0 111.068 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -10' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' -9' ' ' LYS . 12.0 p -74.5 -41.32 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' -9' ' ' LYS . . . . . 0.41 ' N ' HG13 ' A' ' -10' ' ' VAL . 1.2 mptt -57.92 -39.97 79.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.94 -70.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.106 0.479 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 9.7 ptm -52.89 -37.91 61.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.91 -59.23 5.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.766 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -85.31 16.73 3.47 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.932 0.396 . . . . 0.0 111.293 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 1.6 tp -90.19 -72.99 0.54 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.317 0.58 . . . . 0.0 109.957 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 45.75 31.36 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.086 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 115.48 -111.8 2.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.487 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -108.4 162.67 12.94 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.446 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.7 m -82.28 120.09 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 111.067 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -161.73 39.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -178.22 39.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.27 55.44 0.72 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.621 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.432 ' HB2' HG23 ' A' ' 7' ' ' VAL . 5.2 p30 -80.91 -34.01 33.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.074 0.464 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.1 41.91 96.84 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.484 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 8' ' ' SER . 6.0 t -108.9 162.13 6.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.851 0.357 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.467 ' N ' HG12 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -113.08 158.2 20.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.024 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -92.01 132.97 36.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.968 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 p -162.61 110.02 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.068 0.461 . . . . 0.0 111.046 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt 59.65 2.78 0.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.446 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.3 t -151.67 -169.61 3.42 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 111.208 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -73.78 -177.03 2.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.06 38.02 2.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.63 137.92 21.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.245 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' ' 16' ' ' VAL . 13.4 p 28.18 100.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -88.75 55.28 3.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.488 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.37 -23.04 8.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.509 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 22' ' ' PHE . . . -101.26 -50.25 1.24 Allowed Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.155 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -54.57 -61.11 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.529 ' HA ' ' HB3' ' A' ' 24' ' ' GLU . . . -65.16 -6.28 8.84 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.258 0.551 . . . . 0.0 112.064 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 2.5 t80 -68.34 -39.81 81.79 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 177.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -26.34 51.84 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.21 -1.359 . . . . 0.0 109.203 177.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.529 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . 1.4 pt-20 -77.46 -32.43 54.45 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.908 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.516 ' HG3' ' N ' ' A' ' 26' ' ' TYR . 6.2 ptm180 -72.71 -35.06 67.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.187 0.517 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.516 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -65.54 -32.43 74.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.878 -179.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.0 m -76.54 -36.61 57.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.12 79.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.56 -58.73 8.75 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.54 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.91 ' O ' HG23 ' A' ' 34' ' ' VAL . 55.2 mt -56.73 -27.1 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.72 0.295 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.91 -66.54 0.37 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 m -57.41 -33.1 67.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.523 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.477 ' CD2' HG23 ' A' ' 30' ' ' ILE . 0.5 OUTLIER -64.34 -44.37 91.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.542 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 30' ' ' ILE . 48.1 t -54.56 -73.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.734 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -48.67 -55.97 9.82 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.576 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.49 -44.04 0.27 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 119.361 -1.399 . . . . 0.0 109.683 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' SER . 51.8 t -91.13 -71.57 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.932 0 CA-C-N 114.612 -0.794 . . . . 0.0 111.895 177.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.52 -74.83 0.35 Allowed 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 114.652 1.352 . . . . 0.0 114.652 -177.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.734 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -62.55 3.19 0.22 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.075 -1.42 . . . . 0.0 114.148 -176.359 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -104.12 -27.27 6.29 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.394 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -168.55 -81.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.94 0.4 . . . . 0.0 111.185 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.23 79.26 0.71 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.584 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.57 31.44 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.917 0.389 . . . . 0.0 110.888 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 44' ' ' ILE . 26.9 mm -121.09 40.41 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.81 -101.71 0.91 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.466 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.933 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.86 0.362 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -88.65 110.76 21.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.37 68.69 9.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.039 0.447 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 40.6 t -95.69 -25.18 4.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.642 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . 0.553 ' O ' HG23 ' A' ' -10' ' ' VAL . 0.5 OUTLIER -84.23 -33.6 24.07 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.413 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.83 -36.9 41.85 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.879 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 8.4 tt -75.84 -24.26 55.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.712 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.07 -25.24 61.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.988 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -10' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' -14' ' ' LYS . 21.5 t -72.02 -45.45 63.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -61.23 -28.47 69.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -60.08 -45.77 91.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.099 0.476 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . 0.457 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 2.6 ptm -76.31 -28.16 56.84 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -6' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' -7' ' ' MET . 0.5 OUTLIER -54.19 -53.78 48.76 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.148 -179.832 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -85.06 16.51 3.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.961 0.41 . . . . 0.0 111.328 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' LEU . . . . . 0.457 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.1 OUTLIER -90.48 -67.54 0.84 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.515 0.674 . . . . 0.0 109.895 178.397 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . 0.428 ' CG ' ' O ' ' A' ' -4' ' ' LEU . 30.7 p80 46.06 32.96 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.189 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -98.66 92.78 1.25 Allowed Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -83.6 98.35 2.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.593 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 1' ' ' VAL . 13.4 m -154.01 94.86 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.751 0.31 . . . . 0.0 111.106 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -134.51 74.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 60.45 78.55 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.72 39.51 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -71.17 -20.23 62.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.736 0.303 . . . . 0.0 111.2 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.95 80.97 0.9 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.675 HG13 ' N ' ' A' ' 8' ' ' SER . 1.0 OUTLIER -59.56 -161.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 0.0 111.012 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.675 ' N ' HG13 ' A' ' 7' ' ' VAL . 2.3 m -67.75 -165.05 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 50.88 -153.04 0.17 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.053 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 75.81 18.73 2.07 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.116 0.484 . . . . 0.0 111.249 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.96 -40.46 0.14 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.648 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.8 t -151.01 -154.31 0.54 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.972 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.65 148.97 18.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.628 0.251 . . . . 0.0 110.602 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.1 m -90.79 20.85 4.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.25 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 p -161.84 72.97 0.4 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.865 0.364 . . . . 0.0 110.719 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.33 131.81 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.24 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -176.57 95.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.64 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.6 m-90 -61.1 -18.49 58.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.495 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.48 -52.67 0.66 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.194 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.71 -63.67 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.489 ' HA ' ' HB2' ' A' ' 24' ' ' GLU . . . -65.06 -6.49 8.97 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.266 0.555 . . . . 0.0 112.115 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -67.9 -40.28 83.47 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 177.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -77.63 -24.51 49.5 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.187 -1.37 . . . . 0.0 109.186 177.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.489 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 9.3 mm-40 -76.58 -40.19 50.36 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.206 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -54.0 -30.3 46.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -67.66 -50.31 58.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.494 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.4 m -71.49 -33.38 69.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.572 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.13 -34.62 78.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.53 -49.53 30.55 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.352 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.724 ' O ' HG23 ' A' ' 34' ' ' VAL . 18.7 mt -61.44 -35.08 64.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.857 0.36 . . . . 0.0 110.988 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -56.27 -60.83 2.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 p -60.51 -33.93 73.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.106 0.479 . . . . 0.0 110.168 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.406 ' HB3' ' HA ' ' A' ' 30' ' ' ILE . 1.2 t80 -60.36 -55.65 31.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.26 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 30' ' ' ILE . 47.3 t -54.72 -71.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.755 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.727 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 10.2 t -48.11 -57.14 6.25 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.561 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.9 -45.14 0.38 Allowed Glycine 0 C--N 1.319 -0.416 0 C-N-CA 119.266 -1.445 . . . . 0.0 109.823 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -91.42 -69.11 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 CA-C-N 114.704 -0.748 . . . . 0.0 112.229 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.592 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.53 -74.96 0.35 Allowed 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -177.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.727 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -62.55 4.76 0.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.154 -1.385 . . . . 0.0 114.072 -176.427 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -54.72 -38.69 64.77 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.62 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 56.6 35.33 25.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.782 0.325 . . . . 0.0 111.25 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.48 -47.35 2.58 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.504 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 t 49.48 55.82 8.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.838 0.351 . . . . 0.0 111.202 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 44' ' ' ILE . 5.3 mp 46.41 71.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.409 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.94 -30.01 76.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.529 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.829 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.887 0.375 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -88.57 100.77 13.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -16' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' -12' ' ' LEU . 57.7 m -74.16 138.85 44.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.1 t -95.53 -22.9 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.654 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . 0.685 ' O ' HG23 ' A' ' -10' ' ' VAL . 0.9 OUTLIER -81.2 -32.12 33.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.172 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -76.53 -42.51 42.83 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.851 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -12' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' -16' ' ' SER . 1.0 OUTLIER -70.55 -24.66 62.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.625 179.315 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -72.08 -29.62 64.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -10' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' -14' ' ' LYS . 30.2 t -74.5 -43.33 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.019 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -59.05 -33.41 70.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.81 -68.21 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.084 0.469 . . . . 0.0 110.95 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . 0.404 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 3.9 ptm -60.18 -26.91 66.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.946 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -64.91 0.67 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.23 17.73 2.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 111.625 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' LEU . . . . . 0.404 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.9 OUTLIER -89.44 -61.1 1.77 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.325 0.583 . . . . 0.0 110.638 179.527 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -69.36 -22.07 63.76 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.142 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 99.01 -71.52 0.55 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 121.06 43.34 0.44 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.8 m -148.95 160.6 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 111.185 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.76 87.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.522 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.7 t80 61.15 -142.23 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.365 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.0 -8.38 70.47 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.048 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -156.51 -43.42 0.07 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.068 0.461 . . . . 0.0 111.073 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 163.12 57.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.437 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.71 HG13 ' N ' ' A' ' 8' ' ' SER . 0.5 OUTLIER 41.1 -161.66 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-O 120.787 0.327 . . . . 0.0 111.785 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.71 ' N ' HG13 ' A' ' 7' ' ' VAL . 12.5 m -144.13 140.95 29.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.66 126.31 30.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.7 m -154.46 111.63 3.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.053 0.454 . . . . 0.0 111.064 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 60.43 0.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.508 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -152.26 163.05 40.21 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.75 0.31 . . . . 0.0 110.6 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.11 169.51 0.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.559 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.5 m -87.81 53.27 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 110.92 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.2 p -161.9 168.61 22.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 17' ' ' ASN . 15.0 t -78.32 160.86 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.49 ' N ' HG12 ' A' ' 16' ' ' VAL . 15.3 p-10 -87.26 53.64 2.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.85 -8.15 52.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.516 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.3 -49.95 0.55 Allowed Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -54.57 -65.14 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.559 ' HA ' ' HB3' ' A' ' 24' ' ' GLU . . . -64.97 -6.33 8.28 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.416 0.626 . . . . 0.0 112.103 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -69.78 -35.83 75.22 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -80.13 -21.62 42.99 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.565 177.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.559 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -66.86 -35.42 79.98 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.705 179.777 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.478 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 23.4 mtt180 -71.05 -30.32 66.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.138 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -48.42 70.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.704 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.9 m -65.98 -34.2 77.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.42 -31.58 72.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.17 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.42 -38.11 39.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.649 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.742 ' O ' HG23 ' A' ' 34' ' ' VAL . 60.6 mt -59.28 -29.68 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.733 0.302 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -55.09 -56.17 22.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.926 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -34.12 74.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.58 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -64.44 -40.01 94.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.816 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 30' ' ' ILE . 56.0 t -54.68 -73.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.986 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.721 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 18.7 t -48.11 -56.97 6.52 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -178.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.577 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.91 -44.76 0.37 Allowed Glycine 0 C--N 1.319 -0.383 0 C-N-CA 119.221 -1.466 . . . . 0.0 109.859 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.4 t -91.51 -69.7 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-N 114.643 -0.779 . . . . 0.0 112.197 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.4 -74.9 0.35 Allowed 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -177.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.721 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -62.66 3.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.151 -1.386 . . . . 0.0 114.017 -176.378 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -154.76 46.1 0.54 Allowed Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.528 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.0 -87.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.912 0.387 . . . . 0.0 111.198 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.02 54.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.44 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.1 p 49.09 27.54 1.77 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.769 0.318 . . . . 0.0 111.348 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -103.24 36.82 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-O 121.059 0.457 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -146.71 37.68 1.18 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.466 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.9 ppt_? . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.886 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 4.2 tmm? . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.799 0.333 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -88.77 56.19 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 1.2 m -91.46 72.38 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 26.1 t -95.59 -25.1 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.56 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . 0.856 ' O ' HG23 ' A' ' -10' ' ' VAL . 0.3 OUTLIER -85.55 -30.27 23.51 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.3 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -79.44 -38.67 34.1 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.094 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -12' ' ' LEU . . . . . 0.833 HD13 ' O ' ' A' ' -12' ' ' LEU . 1.4 tm? -76.02 -25.67 55.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.839 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -72.18 -31.73 66.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.014 0.435 . . . . 0.0 110.888 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -10' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' -14' ' ' LYS . 21.7 t -74.46 -42.34 49.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.131 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -26.91 43.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.246 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -55.84 -77.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.051 0.453 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -61.03 -35.28 76.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.933 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -6' ' ' LYS . . . . . 0.815 ' HG3' HG12 ' A' ' -10' ' ' VAL . 8.9 mtmt -54.04 -52.93 59.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -85.14 16.28 3.64 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.972 0.415 . . . . 0.0 111.29 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 22.4 tp -90.6 -49.34 6.54 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.489 0.662 . . . . 0.0 109.776 178.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . 0.408 ' CD2' ' O ' ' A' ' -6' ' ' LYS . 9.0 p80 -80.23 -16.98 53.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.357 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -50.4 -98.42 0.01 OUTLIER Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.972 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 175.59 -139.75 4.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.668 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 2' ' ' ASN . 21.6 t -45.91 159.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.8 0.333 . . . . 0.0 111.574 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.494 ' N ' HG12 ' A' ' 1' ' ' VAL . 1.8 t-20 -132.37 75.43 1.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.712 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 63.99 71.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.3 31.02 0.19 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.433 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -93.58 -21.25 19.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 111.19 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 106.0 100.29 2.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.521 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.628 ' O ' HG12 ' A' ' 7' ' ' VAL . 19.6 t -100.78 18.36 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 CA-C-O 121.758 0.79 . . . . 0.0 111.307 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.78 152.98 24.36 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.484 -1.235 . . . . 0.0 110.844 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.47 123.74 17.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m -152.17 110.46 3.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.81 1.4 0.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.402 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.401 ' CG2' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -152.25 163.96 38.36 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.634 0.254 . . . . 0.0 110.468 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' N ' ' CG2' ' A' ' 12' ' ' THR . 0.0 OUTLIER -57.76 175.5 0.19 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.432 179.535 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.3 m -96.22 25.53 4.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.711 0.291 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.2 p -131.71 108.39 9.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 17' ' ' ASN . 8.1 t -68.45 163.59 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.06 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.5 ' N ' HG12 ' A' ' 16' ' ' VAL . 3.8 m-20 -85.39 55.26 3.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.049 0.452 . . . . 0.0 110.5 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.439 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 0.8 OUTLIER -66.71 -7.89 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.855 -179.707 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' A' ' 22' ' ' PHE . . . -106.83 -60.06 0.58 Allowed Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.299 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -62.48 1.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.728 -0.278 . . . . 0.0 110.398 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . . . -65.0 -3.25 3.31 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.22 0.533 . . . . 0.0 112.227 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.439 ' HB2' ' O ' ' A' ' 18' ' ' TRP . 12.2 t80 -71.05 -43.15 68.43 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 177.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -23.41 61.62 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.122 -1.399 . . . . 0.0 109.082 177.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.434 ' CG ' ' HA ' ' A' ' 21' ' ' ALA . 70.6 mt-10 -69.34 -53.99 16.81 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.908 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -56.67 -30.45 63.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.075 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -64.66 -51.01 64.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.579 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.493 HG22 ' OD1' ' A' ' 31' ' ' ASN . 38.6 m -73.39 -31.98 64.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.657 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.76 93.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.067 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.35 -52.92 35.9 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.183 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.708 ' O ' HG23 ' A' ' 34' ' ' VAL . 26.0 mt -62.72 -29.43 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.493 ' OD1' HG22 ' A' ' 27' ' ' THR . 0.9 OUTLIER -54.61 -66.17 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.778 179.724 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 t -55.95 -32.18 63.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.098 0.475 . . . . 0.0 110.403 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.423 ' HD2' HG23 ' A' ' 30' ' ' ILE . 1.7 t80 -63.92 -60.04 3.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.259 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 30' ' ' ILE . 36.8 t -54.58 -68.77 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.231 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.725 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.75 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 48.3 t -48.29 -56.04 9.05 Favored 'General case' 0 CA--C 1.506 -0.738 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -33.87 -45.57 0.4 Allowed Glycine 0 C--N 1.319 -0.395 0 C-N-CA 119.24 -1.457 . . . . 0.0 109.675 178.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.3 t -91.5 -69.26 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 114.665 -0.767 . . . . 0.0 112.298 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.591 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.28 -74.83 0.35 Allowed 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -177.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.75 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -65.1 12.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.147 -1.388 . . . . 0.0 114.005 -176.557 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -94.86 26.43 18.64 Favored Glycine 0 C--N 1.333 0.37 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.518 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.601 ' O ' HG22 ' A' ' 44' ' ' ILE . . . -169.76 34.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.855 0.36 . . . . 0.0 111.047 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.98 -1.37 85.01 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.898 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.5 p -104.42 23.0 13.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.697 0.284 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.601 HG22 ' O ' ' A' ' 41' ' ' ALA . 1.1 tp -106.19 38.92 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.034 0.445 . . . . 0.0 110.916 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.62 -83.16 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.467 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.778 0.323 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -88.84 126.21 35.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 4.3 p -63.63 122.99 17.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.1 t -95.46 -23.73 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.627 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -31.79 24.31 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' -13' ' ' GLU . . . . . 0.562 ' O ' HG12 ' A' ' -10' ' ' VAL . 19.6 tt0 -79.77 -35.11 39.17 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.202 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' -12' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' -12' ' ' LEU . 5.2 tt -81.16 -20.97 40.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.372 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -87.91 -28.75 21.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.886 0.374 . . . . 0.0 111.45 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -10' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' -13' ' ' GLU . 14.4 p -68.74 -28.93 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -45.47 67.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.59 -56.11 26.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.024 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . 0.416 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 1.7 ptm -59.62 -31.19 69.27 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -54.02 -61.74 2.11 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.14 17.35 3.03 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.913 0.387 . . . . 0.0 111.658 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' LEU . . . . . 0.416 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.7 OUTLIER -89.58 -57.75 2.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.368 0.604 . . . . 0.0 110.457 179.321 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -85.89 5.3 33.54 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.522 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -57.38 -59.21 11.28 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.642 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 88.85 -164.57 32.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.441 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.0 m -107.75 133.9 51.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 111.175 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -152.46 63.71 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.79 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 58.81 40.22 23.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.4 -25.94 21.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.542 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.6 t30 63.98 6.06 2.66 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -131.73 61.26 0.66 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.383 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.724 HG13 ' N ' ' A' ' 8' ' ' SER . 0.5 OUTLIER 41.08 -162.5 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-O 120.915 0.388 . . . . 0.0 111.828 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.724 ' N ' HG13 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -107.75 -159.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.626 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.525 ' HB3' ' HA ' ' A' ' 14' ' ' CYS . 0.7 OUTLIER 36.22 108.69 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 179.563 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.3 m -129.96 111.53 12.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.843 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.49 6.98 1.62 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.487 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.432 ' CG2' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -151.81 166.47 31.3 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.416 -179.796 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.432 ' N ' ' CG2' ' A' ' 12' ' ' THR . 0.0 OUTLIER -47.24 170.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.807 0.337 . . . . 0.0 111.408 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.525 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -105.84 37.55 2.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.82 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.81 155.99 22.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.779 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.0 p -58.33 150.12 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.996 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -123.38 50.12 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.2 t90 -70.19 -31.54 69.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.054 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.75 -47.63 1.02 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.081 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -61.98 1.96 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.45 ' HA ' ' HB2' ' A' ' 24' ' ' GLU . . . -65.17 -6.71 9.95 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.3 0.572 . . . . 0.0 112.171 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -69.28 -39.62 78.25 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.2 -23.05 51.49 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.528 -1.215 . . . . 0.0 109.167 177.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 40.8 mt-10 -67.68 -28.26 67.54 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.052 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -36.37 53.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.145 0.498 . . . . 0.0 111.217 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.523 ' O ' HD12 ' A' ' 30' ' ' ILE . 66.2 t80 -64.17 -35.98 82.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.256 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.2 m -67.97 -47.64 68.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.773 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.11 -31.86 61.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.036 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.81 -58.07 8.87 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.309 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.903 ' O ' HG23 ' A' ' 34' ' ' VAL . 4.6 mp -64.8 -31.81 55.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.752 0.311 . . . . 0.0 110.975 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -53.32 -66.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.07 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.9 -30.66 67.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -67.46 -47.26 70.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.727 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 30' ' ' ILE . 60.3 t -54.68 -73.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.738 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -48.78 -52.89 21.46 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.565 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.75 -43.81 0.43 Allowed Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 178.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.0 t -91.48 -72.35 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 CA-C-N 114.503 -0.848 . . . . 0.0 111.855 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.37 -75.03 0.34 Allowed 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -177.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.738 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 1.8 t -63.2 7.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.154 -1.385 . . . . 0.0 114.347 -176.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -117.45 -81.13 0.8 Allowed Glycine 0 C--N 1.334 0.418 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.373 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.49 73.97 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.834 0.35 . . . . 0.0 111.103 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.07 -81.32 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.497 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.7 m -58.71 -80.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.037 0.446 . . . . 0.0 111.048 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.51 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.0 OUTLIER -126.8 54.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.09 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -93.28 45.06 2.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.143 -0.932 . . . . 0.0 110.925 179.925 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.796 0.332 . . . . 0.0 111.249 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -88.75 87.69 7.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.796 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 59.4 p -86.28 119.29 26.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 18.6 t -95.69 -25.65 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.63 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -83.28 -34.02 25.85 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.71 -36.7 43.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.819 178.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -73.26 -25.43 60.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.694 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.47 -24.73 63.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.959 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.06 -46.86 44.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -37.86 70.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -50.75 -74.1 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . 0.404 ' HB2' ' CD2' ' A' ' -3' ' ' HIS . 0.0 OUTLIER -64.67 -23.79 67.37 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.902 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -52.63 -32.43 41.8 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -66.99 -135.96 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.132 -1.395 . . . . 0.0 108.024 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' LEU . . . . . 0.699 ' O ' HD23 ' A' ' -4' ' ' LEU . 9.9 tt -56.75 -10.74 1.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . 0.404 ' CD2' ' HB2' ' A' ' -7' ' ' MET . 20.8 t-80 65.76 58.93 0.76 Allowed 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 120.913 0.387 . . . . 0.0 110.748 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -134.88 -176.39 14.34 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 69.38 19.97 74.86 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.748 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 1' ' ' VAL . 9.9 p 178.97 111.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.765 0.317 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -161.85 82.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.078 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 58.86 80.26 0.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.066 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.89 39.83 3.08 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.711 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.4 t30 62.83 4.72 1.54 Allowed 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 55.06 88.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.49 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.681 HG13 ' N ' ' A' ' 8' ' ' SER . 0.9 OUTLIER -58.8 -162.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.352 . . . . 0.0 110.977 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.681 ' N ' HG13 ' A' ' 7' ' ' VAL . 27.9 m -136.62 142.21 43.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.88 125.94 37.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 p -152.27 111.3 3.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.002 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm 60.54 2.19 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.492 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.1 t -151.75 -178.45 6.73 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.756 0.312 . . . . 0.0 111.298 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -67.29 178.67 1.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.746 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.2 m -98.89 53.39 0.99 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.961 0.41 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.9 t -152.58 171.2 18.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.605 ' O ' HG12 ' A' ' 16' ' ' VAL . 29.2 t -96.44 41.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.025 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 61.25 69.96 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.422 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 3.2 m95 -77.23 12.07 1.63 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.191 -178.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.439 ' O ' ' HB3' ' A' ' 22' ' ' PHE . . . -116.36 -55.97 0.33 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.14 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -58.39 -68.91 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.866 -0.197 . . . . 0.0 110.736 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.421 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . . . -65.06 -2.61 2.87 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.439 ' HB3' ' O ' ' A' ' 19' ' ' GLY . 15.4 t80 -73.15 -40.52 64.8 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 177.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.45 -21.4 58.15 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.175 177.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' CG ' ' HA ' ' A' ' 21' ' ' ALA . 31.0 mt-10 -67.58 -56.15 10.58 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.747 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.8 mmt-85 -58.94 -28.46 66.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.04 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -65.73 -48.56 71.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.763 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.9 m -67.55 -37.24 82.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.842 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.77 -27.29 66.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.282 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.75 -50.17 4.29 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.661 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.894 ' O ' HG23 ' A' ' 34' ' ' VAL . 75.5 mt -57.71 -32.78 43.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.689 0.28 . . . . 0.0 111.148 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -50.45 -63.5 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -60.81 -32.44 71.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -66.9 -39.18 87.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.987 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 30' ' ' ILE . 60.0 t -54.73 -75.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.016 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.737 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 9.1 p -48.58 -54.57 13.99 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.572 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.31 -44.04 0.38 Allowed Glycine 0 C--N 1.319 -0.406 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 178.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.2 t -91.29 -71.53 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-N 114.583 -0.809 . . . . 0.0 111.93 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.34 -74.89 0.35 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -177.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.737 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -62.55 4.37 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.188 -1.369 . . . . 0.0 114.248 -176.409 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -106.75 -54.28 0.69 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.552 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -171.94 -39.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.106 0.479 . . . . 0.0 111.216 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 55.96 23.89 40.28 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.696 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.1 m -110.19 -30.99 7.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.39 . . . . 0.0 111.059 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.486 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.1 tp -168.63 44.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.371 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.73 -126.41 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.449 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 3.7 mmt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.79 0.329 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -88.46 84.13 6.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -16' ' ' SER . . . . . 0.56 ' O ' HD12 ' A' ' -12' ' ' LEU . 0.2 OUTLIER -80.08 119.36 22.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.56 -24.05 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.586 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . 0.428 ' O ' HG23 ' A' ' -10' ' ' VAL . 5.7 ttmt -81.55 -32.29 32.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.79 -40.83 46.83 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.909 178.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -12' ' ' LEU . . . . . 0.56 HD12 ' O ' ' A' ' -16' ' ' SER . 0.4 OUTLIER -70.29 -25.11 63.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.687 179.324 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -33.93 75.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.077 0.465 . . . . 0.0 110.801 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -10' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' -14' ' ' LYS . 24.1 t -74.61 -29.62 23.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.144 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -56.44 -28.24 58.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.161 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -73.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.108 0.48 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -32.22 58.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -62.79 1.42 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -85.4 17.82 2.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.561 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 5.8 tp -89.4 -60.07 2.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.274 0.559 . . . . 0.0 110.542 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.03 -21.55 66.39 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.142 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -145.87 124.93 2.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -169.49 36.39 0.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.0 112.33 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.773 0.32 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -133.68 45.06 2.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 61.87 47.79 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.15 -29.24 74.38 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.473 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -90.18 -69.27 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.193 0.521 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.93 102.82 0.91 Allowed Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.491 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.462 HG12 ' N ' ' A' ' 8' ' ' SER . 5.4 t -60.53 161.89 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 110.918 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.462 ' N ' HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -160.4 179.4 8.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.964 0.411 . . . . 0.0 111.181 -179.87 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.415 ' HA ' ' HB3' ' A' ' 14' ' ' CYS . 3.2 m -58.46 114.28 2.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.835 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -162.36 114.09 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.63 10.32 2.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.965 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -150.82 2.79 0.45 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.756 -179.427 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 53.2 27.23 5.77 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.26 0.552 . . . . 0.0 111.417 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.415 ' HB3' ' HA ' ' A' ' 9' ' ' CYS . 10.4 p 40.74 42.27 1.37 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.527 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.0 m -150.48 163.45 38.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.004 0.431 . . . . 0.0 111.176 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.656 HG13 ' N ' ' A' ' 17' ' ' ASN . 0.7 OUTLIER -61.36 -164.11 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.87 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.656 ' N ' HG13 ' A' ' 16' ' ' VAL . 2.4 m120 -80.01 55.82 2.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.218 0.532 . . . . 0.0 110.541 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.51 5.6 4.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.001 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -109.29 -57.4 0.53 Allowed Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.439 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -54.78 -66.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.92 -0.165 . . . . 0.0 110.694 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . . . -64.73 -4.12 3.97 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 121.289 0.566 . . . . 0.0 111.975 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -70.49 -39.81 73.94 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 176.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -73.91 -23.99 59.63 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.294 -1.321 . . . . 0.0 108.597 177.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.422 ' CG ' ' HA ' ' A' ' 21' ' ' ALA . 62.6 mt-10 -76.2 -47.73 22.99 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.765 179.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 26' ' ' TYR . 0.4 OUTLIER -61.63 -33.73 74.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.966 -179.864 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.795 ' CD2' HD11 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -63.79 -31.88 73.21 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.891 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.8 m -68.36 -42.9 78.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.6 94.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.207 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.69 -54.45 10.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.644 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.889 ' O ' HG23 ' A' ' 34' ' ' VAL . 56.1 mt -58.0 -25.55 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.722 0.296 . . . . 0.0 111.22 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -52.39 -66.32 0.4 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.106 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 p -60.29 -32.51 71.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.713 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -64.72 -46.71 81.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 30' ' ' ILE . 59.3 t -58.16 -75.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.69 ' HA ' ' N ' ' A' ' 39' ' ' SER . 0.7 OUTLIER -47.84 -33.3 7.17 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.532 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.69 -49.37 47.28 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 108.291 -1.923 . . . . 0.0 108.291 177.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.0 t -91.96 -60.59 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-N 114.182 -1.009 . . . . 0.0 113.142 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.619 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -82.9 -73.45 0.4 Allowed 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 -175.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.69 ' N ' ' HA ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -61.55 -14.47 30.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.231 -1.35 . . . . 0.0 114.0 -174.743 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 35' ' ' SER . . . 60.03 59.1 11.03 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.559 178.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.445 ' N ' ' HB3' ' A' ' 35' ' ' SER . . . -164.11 42.61 0.09 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.895 0.379 . . . . 0.0 111.185 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.52 -27.9 3.95 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.455 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -151.34 31.3 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.934 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.443 HG23 ' O ' ' A' ' 44' ' ' ILE . 0.7 OUTLIER -118.9 52.29 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.998 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.15 -39.76 0.4 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.772 0.32 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -90.41 44.63 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.088 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -16' ' ' SER . . . . . 0.675 ' O ' HD12 ' A' ' -12' ' ' LEU . 12.6 p -92.86 122.27 35.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.846 0.355 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.71 -23.32 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.744 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -82.81 -32.85 27.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -78.57 -38.22 40.73 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.766 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -12' ' ' LEU . . . . . 0.675 HD12 ' O ' ' A' ' -16' ' ' SER . 13.3 mt -71.94 -25.28 61.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.698 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -26.73 65.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.979 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 27.8 t -74.35 -66.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.187 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.84 -27.8 5.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.298 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -8' ' ' GLU . . . . . 0.46 ' OE1' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -60.21 -78.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.103 0.477 . . . . 0.0 110.941 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 2.0 ptm -56.38 -33.16 65.46 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -53.84 -62.47 1.63 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.829 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.35 17.78 2.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.874 0.369 . . . . 0.0 111.361 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' LEU . . . . . 0.462 HD23 ' C ' ' A' ' -4' ' ' LEU . 10.2 tt -89.39 -65.64 1.0 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.312 0.577 . . . . 0.0 110.631 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -22.1 59.64 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -131.9 -168.56 12.13 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.449 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 59.24 84.53 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.418 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 1' ' ' VAL . 11.1 p -79.32 112.7 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 111.058 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -161.75 69.92 0.32 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.785 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 59.86 40.73 18.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.16 -103.45 1.44 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 63.0 6.73 2.35 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -167.23 62.87 0.21 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.585 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.722 HG13 ' N ' ' A' ' 8' ' ' SER . 0.5 OUTLIER 40.74 -161.42 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.746 0.308 . . . . 0.0 111.804 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.722 ' N ' HG13 ' A' ' 7' ' ' VAL . 41.6 m -149.0 135.75 19.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.9 m -63.09 115.02 4.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.8 p -168.02 111.18 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.194 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 tttm 59.1 2.89 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.364 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -152.23 166.83 30.53 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -179.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' N ' ' CG2' ' A' ' 12' ' ' THR . 7.1 mtpt -53.86 -175.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.773 0.321 . . . . 0.0 110.704 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.5 m -117.61 -136.28 0.35 Allowed 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.3 166.08 25.66 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -89.0 153.58 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.127 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -96.07 57.7 1.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.696 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.405 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -65.3 -13.18 57.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.552 -179.682 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.36 -60.11 0.64 Allowed Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.203 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.48 -63.51 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 122.878 -0.19 . . . . 0.0 110.621 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.45 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . . . -65.1 -4.41 4.84 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.356 0.598 . . . . 0.0 112.098 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -71.21 -40.6 71.05 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 177.151 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -76.02 -21.91 56.34 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.178 177.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.45 ' CG ' ' HA ' ' A' ' 21' ' ' ALA . 44.5 mt-10 -68.1 -57.72 5.64 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.864 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -58.55 -28.3 65.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.092 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.62 -42.22 87.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.782 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.0 m -69.15 -42.41 75.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.23 -31.11 72.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.16 -52.24 23.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.544 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.913 ' O ' HG23 ' A' ' 34' ' ' VAL . 44.9 mm -60.22 -39.14 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.758 0.313 . . . . 0.0 111.067 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -52.85 -63.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.0 m -61.11 -31.21 70.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.603 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -66.35 -47.94 71.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.602 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 30' ' ' ILE . 46.6 t -54.6 -72.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.744 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 12.2 p -48.63 -54.2 15.6 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.574 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.41 -44.62 0.43 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 119.275 -1.44 . . . . 0.0 109.515 178.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.7 t -91.35 -70.96 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 CA-C-N 114.552 -0.824 . . . . 0.0 111.976 177.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.29 -75.04 0.34 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -177.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.744 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -62.66 5.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.203 -1.362 . . . . 0.0 114.079 -176.467 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -149.9 51.56 0.53 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.401 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.11 -21.29 59.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 111.454 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.88 52.25 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.574 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -104.37 -20.61 13.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 111.057 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.618 HG23 ' O ' ' A' ' 44' ' ' ILE . 7.3 tp -145.99 73.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.25 -43.18 0.4 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.567 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.912 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.847 0.356 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -88.65 90.92 8.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -16' ' ' SER . . . . . 0.613 ' O ' HD13 ' A' ' -12' ' ' LEU . 66.1 m -82.61 109.31 16.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.6 t -95.56 -22.03 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.688 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . 0.6 ' O ' HG23 ' A' ' -10' ' ' VAL . 0.0 OUTLIER -83.21 -32.33 26.58 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.252 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.99 -39.9 40.87 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.878 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -12' ' ' LEU . . . . . 0.613 HD13 ' O ' ' A' ' -16' ' ' SER . 8.3 mp -72.08 -25.19 61.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.688 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -71.86 -25.45 61.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.976 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -10' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' -14' ' ' LYS . 21.4 t -74.28 -44.25 49.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.095 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -29.86 60.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.035 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -78.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.987 0.422 . . . . 0.0 110.831 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . 0.412 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 0.3 OUTLIER -51.6 -28.23 13.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.146 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -53.85 -67.85 0.23 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -85.35 17.71 3.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 0.0 111.687 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' LEU . . . . . 0.412 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.2 OUTLIER -89.45 -48.42 7.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.328 0.585 . . . . 0.0 110.524 179.365 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -61.55 -21.44 64.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 125.53 -79.26 0.37 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.489 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 173.0 76.81 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.8 p -151.69 134.34 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 111.077 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 3' ' ' TYR . 3.2 m120 -140.67 41.38 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.423 ' CG ' ' O ' ' A' ' 2' ' ' ASN . 30.0 p90 43.46 38.72 1.9 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.466 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.54 22.69 0.49 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.655 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -120.8 -19.26 7.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.625 0.25 . . . . 0.0 111.433 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 94.98 86.33 1.69 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.683 HG22 ' H ' ' A' ' 8' ' ' SER . 1.1 p -75.12 -161.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.683 ' H ' HG22 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -105.59 144.13 32.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.928 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.8 m -102.29 114.83 29.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -152.13 112.19 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.939 0.4 . . . . 0.0 111.102 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm 60.88 3.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.347 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 t -151.66 -170.44 3.65 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.914 0.387 . . . . 0.0 111.227 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -164.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.674 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.4 m -124.67 -136.24 0.28 Allowed 'General case' 0 N--CA 1.431 -1.387 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.1 t -131.6 158.06 42.01 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 17' ' ' ASN . 20.5 t -91.2 159.27 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.277 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.479 ' N ' HG12 ' A' ' 16' ' ' VAL . 69.6 m-80 -126.89 72.1 1.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.578 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -12.42 56.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.719 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 22' ' ' PHE . . . -106.68 -60.48 0.59 Allowed Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.139 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -55.12 -63.37 1.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.828 -0.219 . . . . 0.0 110.436 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . . . -65.18 -5.47 6.95 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.297 0.57 . . . . 0.0 112.051 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.411 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 0.7 OUTLIER -68.52 -41.41 79.95 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 177.194 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -74.99 -23.5 58.27 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.263 -1.335 . . . . 0.0 109.218 177.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.441 ' CG ' ' HA ' ' A' ' 21' ' ' ALA . 5.7 mm-40 -73.43 -62.34 1.51 Allowed 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.097 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -54.21 -28.3 40.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.246 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -45.09 88.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.473 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.3 m -77.17 -43.92 32.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.693 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.51 -31.28 71.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.017 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.59 -53.27 21.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.787 ' O ' HG23 ' A' ' 34' ' ' VAL . 71.1 mt -59.39 -29.91 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.721 0.296 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -55.53 -57.22 12.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.82 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 m -61.29 -32.65 72.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.577 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -64.97 -47.95 75.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.818 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 30' ' ' ILE . 38.9 t -54.63 -73.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.038 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.733 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 16.4 p -48.68 -54.14 15.97 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.573 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.42 -44.22 0.41 Allowed Glycine 0 C--N 1.319 -0.369 0 C-N-CA 119.282 -1.437 . . . . 0.0 109.528 178.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.3 t -91.35 -71.41 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-N 114.508 -0.846 . . . . 0.0 111.86 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.48 -74.9 0.35 Allowed 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -177.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.733 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -62.58 3.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.176 -1.375 . . . . 0.0 114.317 -176.397 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -111.53 27.35 10.66 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.453 -0.879 . . . . 0.0 112.514 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.26 -22.03 59.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 111.394 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.63 81.11 0.64 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.369 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.428 ' O ' HG22 ' A' ' 44' ' ' ILE . 1.2 m -84.28 -1.62 55.59 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.46 0.17 . . . . 0.0 111.46 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.428 HG22 ' O ' ' A' ' 43' ' ' SER . 0.8 OUTLIER 43.44 45.6 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 121.022 0.439 . . . . 0.0 111.513 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.14 -103.7 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 21.2 mtt . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.919 0.39 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.7 100.02 12.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' -16' ' ' SER . . . . . 0.475 ' O ' HD12 ' A' ' -12' ' ' LEU . 0.2 OUTLIER -80.29 115.28 19.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 30.7 t -95.54 -22.61 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.638 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -31.73 24.1 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.48 -35.57 34.6 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.977 178.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' -12' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' -16' ' ' SER . 31.5 mt -77.85 -23.56 48.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.857 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -77.33 -37.74 51.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.046 0.451 . . . . 0.0 111.058 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -10' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' -9' ' ' LYS . 10.7 p -74.44 -43.39 49.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' -9' ' ' LYS . . . . . 0.443 ' N ' HG13 ' A' ' -10' ' ' VAL . 1.5 ttmt -66.38 -28.3 68.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' -8' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' -4' ' ' LEU . 1.7 tt0 -56.98 -42.53 80.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 64.8 mtm -56.65 -43.03 79.93 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.749 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -53.89 -55.31 27.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.335 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -85.47 17.31 3.25 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.3 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' -8' ' ' GLU . 8.0 tt -89.68 -64.39 1.15 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.426 0.631 . . . . 0.0 110.428 179.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -72.7 -22.15 60.94 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.227 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -102.4 109.81 3.63 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -159.1 76.88 0.19 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 29.7 m -62.25 155.28 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.841 0.353 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -152.97 40.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 60.56 77.7 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.47 38.15 0.55 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -92.55 -17.63 24.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.756 0.312 . . . . 0.0 111.222 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.66 28.82 11.0 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.589 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.698 HG13 ' N ' ' A' ' 8' ' ' SER . 1.0 OUTLIER -75.27 -160.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.322 . . . . 0.0 110.917 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.698 ' N ' HG13 ' A' ' 7' ' ' VAL . 1.5 t 54.0 174.02 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.271 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.6 m -96.85 123.8 40.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.166 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 p -172.03 109.38 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.986 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.47 3.31 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.331 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.441 ' CG2' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -152.28 166.91 30.33 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 120.66 0.267 . . . . 0.0 110.298 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' N ' ' CG2' ' A' ' 12' ' ' THR . 17.5 mttt -53.43 -176.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.804 0.335 . . . . 0.0 110.766 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.7 m -117.45 -136.38 0.35 Allowed 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.6 t -134.31 141.08 46.81 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.819 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 17' ' ' ASN . 20.1 t -102.61 158.96 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.194 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.473 ' N ' HG12 ' A' ' 16' ' ' VAL . 17.2 t-20 -95.79 41.99 1.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.401 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -63.07 -17.53 62.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.321 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 22' ' ' PHE . . . -56.58 -56.96 21.86 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.262 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -54.62 -55.92 24.49 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.452 ' HA ' ' HB2' ' A' ' 24' ' ' GLU . . . -65.33 -8.04 16.37 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.295 0.569 . . . . 0.0 112.364 178.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -68.7 -42.1 78.21 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 177.692 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.96 -25.17 61.76 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.457 -1.247 . . . . 0.0 108.692 176.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.452 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 42.5 mt-10 -70.0 -39.76 75.7 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.742 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.528 ' HG3' ' N ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -66.13 -34.12 77.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.081 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.528 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 14.4 t80 -67.71 -32.18 72.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.797 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.5 m -75.75 -37.52 59.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.761 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.91 -42.46 89.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.991 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.12 -51.52 38.29 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.438 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.898 ' O ' HG23 ' A' ' 34' ' ' VAL . 33.8 mm -63.23 -28.28 44.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.689 0.28 . . . . 0.0 111.098 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.33 -62.43 1.66 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.068 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.5 m -59.95 -34.8 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -63.92 -50.47 68.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 30' ' ' ILE . 44.6 t -54.66 -74.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.734 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 9.5 p -48.62 -54.74 13.46 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.576 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.29 -44.43 0.4 Allowed Glycine 0 C--N 1.32 -0.332 0 C-N-CA 119.209 -1.472 . . . . 0.0 109.568 178.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.0 t -91.43 -70.99 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.895 0 CA-C-N 114.57 -0.815 . . . . 0.0 112.01 177.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.38 -74.62 0.36 Allowed 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 -177.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.734 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -62.53 3.31 0.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.212 -1.358 . . . . 0.0 114.193 -176.303 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -93.08 -75.13 1.29 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.455 -0.878 . . . . 0.0 112.193 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.73 72.26 10.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.886 0.374 . . . . 0.0 111.024 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.69 53.19 3.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.648 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.2 -81.72 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.983 0.42 . . . . 0.0 111.03 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.668 HG23 ' O ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -163.31 89.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.943 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.43 -86.53 1.31 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.442 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.848 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.951 0.405 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -88.71 97.75 11.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -16' ' ' SER . . . . . 0.401 ' CB ' ' HB2' ' A' ' -13' ' ' GLU . 19.0 m -79.42 123.61 27.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 21.3 t -95.64 -22.15 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . 0.717 ' O ' HG23 ' A' ' -10' ' ' VAL . 8.1 ttmt -84.11 -35.0 24.01 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -13' ' ' GLU . . . . . 0.401 ' HB2' ' CB ' ' A' ' -16' ' ' SER . 0.5 OUTLIER -79.33 -35.33 41.21 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.761 178.886 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 21.2 tp -75.45 -24.43 57.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.888 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -74.82 -37.47 62.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.145 0.497 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -10' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' -14' ' ' LYS . 21.9 t -74.44 -24.96 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.268 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -28.98 24.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.193 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -60.26 -40.57 90.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.09 0.471 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . 0.415 ' HA ' ' HB2' ' A' ' -4' ' ' LEU . 1.6 mpp? -77.78 -39.28 44.54 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.15 -53.28 55.51 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.012 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -85.11 16.63 3.39 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.989 0.423 . . . . 0.0 111.191 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' LEU . . . . . 0.415 ' HB2' ' HA ' ' A' ' -7' ' ' MET . 0.2 OUTLIER -90.45 -68.1 0.81 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.534 0.683 . . . . 0.0 109.741 178.446 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . 0.403 ' CD2' ' O ' ' A' ' -3' ' ' HIS . 7.5 t-160 46.06 30.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.196 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 81.29 -174.18 54.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.598 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -168.47 121.17 0.93 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.523 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 2' ' ' ASN . 25.8 t -82.84 158.59 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 111.099 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.478 ' N ' HG12 ' A' ' 1' ' ' VAL . 14.0 m-80 -131.76 50.3 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 61.2 79.8 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.957 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.89 40.4 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.433 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -66.21 -20.55 66.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.707 0.289 . . . . 0.0 111.101 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 169.77 69.06 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.532 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 8' ' ' SER . 5.0 t -69.58 161.92 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.743 0.306 . . . . 0.0 111.048 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.46 ' N ' HG12 ' A' ' 7' ' ' VAL . 26.7 p -104.24 129.12 52.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.2 m -111.37 115.24 28.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.8 p -168.39 112.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 111.039 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.81 5.46 0.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.338 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.1 t -151.35 30.17 0.62 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.671 0.272 . . . . 0.0 111.437 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.18 -160.95 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.136 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.2 m -108.62 -136.07 0.36 Allowed 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.7 t -131.58 96.86 4.07 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.007 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 17' ' ' ASN . 21.2 t -100.76 159.34 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.967 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.485 ' N ' HG12 ' A' ' 16' ' ' VAL . 27.1 m120 -131.3 73.7 1.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -71.37 -8.71 55.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.559 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' O ' ' CB ' ' A' ' 22' ' ' PHE . . . -108.41 -59.06 0.55 Allowed Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.072 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -55.14 -64.76 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . . . -65.01 -3.35 3.44 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.338 0.59 . . . . 0.0 111.968 179.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.41 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 1.0 OUTLIER -70.95 -40.89 71.74 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 177.2 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -75.0 -23.52 58.26 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.24 -1.346 . . . . 0.0 109.2 177.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.412 ' CG ' ' HA ' ' A' ' 21' ' ' ALA . 6.3 mm-40 -65.74 -47.15 76.24 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.867 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -58.78 -28.53 66.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -41.15 97.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.481 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.0 m -70.92 -36.3 72.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.643 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.81 92.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.038 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.54 -49.74 58.68 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.311 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.922 ' O ' HG23 ' A' ' 34' ' ' VAL . 28.7 mt -62.57 -29.72 47.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.786 0.327 . . . . 0.0 110.944 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -53.82 -65.39 0.58 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 m -57.42 -31.42 65.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.974 0.416 . . . . 0.0 110.432 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -65.39 -48.18 73.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.433 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.922 HG23 ' O ' ' A' ' 30' ' ' ILE . 35.1 t -54.7 -69.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.698 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 21.2 t -48.29 -48.71 35.64 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -178.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.53 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -39.48 -46.3 2.73 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 118.949 -1.596 . . . . 0.0 109.149 178.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.9 t -91.86 -67.53 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 114.507 -0.847 . . . . 0.0 112.683 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.603 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.41 -74.98 0.34 Allowed 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -176.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.698 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -62.59 5.17 0.12 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.169 -1.378 . . . . 0.0 114.098 -176.088 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -78.44 -62.53 2.28 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.452 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 56.33 34.14 23.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.865 0.364 . . . . 0.0 111.171 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.19 -22.67 4.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.686 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.1 m -139.16 35.25 2.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.819 0.343 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 pt -84.49 52.08 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.267 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.35 27.83 4.87 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.547 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.927 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 14.6 mtt . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.876 0.369 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.61 109.38 20.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 9.1 p -67.25 101.91 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.012 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 26.7 t -95.73 -25.33 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.599 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.21 -33.81 24.05 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -79.58 -34.75 40.57 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.87 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -12' ' ' LEU . . . . . . . . . . . . . 58.4 tp -76.42 -24.59 53.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.948 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -79.32 -40.3 30.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.129 0.49 . . . . 0.0 111.063 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -10' ' ' VAL . . . . . . . . . . . . . 9.9 p -74.43 -26.98 20.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.316 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -24.13 61.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.84 -78.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.05 0.452 . . . . 0.0 111.202 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 4.8 ptp -51.55 -35.38 40.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.201 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -6' ' ' LYS . . . . . 0.404 ' O ' ' CD2' ' A' ' -3' ' ' HIS . 0.0 OUTLIER -54.01 -60.83 2.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 -179.822 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.33 17.01 3.3 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.969 0.414 . . . . 0.0 111.378 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.26 -44.89 9.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.346 0.593 . . . . 0.0 110.286 178.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . 0.404 ' CD2' ' O ' ' A' ' -6' ' ' LYS . 10.6 p80 -78.43 -21.95 48.42 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.43 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 73.04 73.82 0.84 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.371 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . 0.4 ' CA ' ' CE1' ' A' ' -3' ' ' HIS . . . -93.13 -176.6 40.71 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.653 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.514 HG22 ' N ' ' A' ' 2' ' ' ASN . 12.0 p -85.32 160.69 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.514 ' N ' HG22 ' A' ' 1' ' ' VAL . 4.3 m-20 -131.56 54.16 1.94 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.401 ' CG ' ' O ' ' A' ' 2' ' ' ASN . 15.2 p90 43.29 80.12 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.477 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.26 79.97 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -57.81 -22.84 49.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.826 0.346 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.53 82.43 0.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.681 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 8' ' ' SER . 5.2 t -84.25 162.16 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.71 0.29 . . . . 0.0 110.759 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.466 ' N ' HG12 ' A' ' 7' ' ' VAL . 19.8 m -142.71 114.6 8.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 0.0 111.274 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.1 m -100.91 116.25 32.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.474 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -142.61 113.06 7.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 0.0 111.233 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.34 4.3 0.47 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.189 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.453 ' CG2' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -152.07 169.01 23.43 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -179.817 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.453 ' N ' ' CG2' ' A' ' 12' ' ' THR . 20.0 pttt -54.97 -170.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.715 0.293 . . . . 0.0 110.767 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.8 m -112.74 -136.25 0.36 Allowed 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.4 t -148.53 128.12 13.23 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.499 HG12 ' N ' ' A' ' 17' ' ' ASN . 25.8 t -73.3 160.05 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.499 ' N ' HG12 ' A' ' 16' ' ' VAL . 6.5 m120 -93.25 42.78 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.062 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -11.97 61.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.243 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.4 -50.66 0.75 Allowed Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.188 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.74 -63.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' A' ' 24' ' ' GLU . . . -65.07 -2.91 3.09 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.352 0.596 . . . . 0.0 112.224 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -72.57 -40.17 66.85 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 177.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.78 -24.8 59.9 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.028 177.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.432 ' HB2' ' HA ' ' A' ' 21' ' ' ALA . 1.3 mm-40 -62.56 -52.22 64.27 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.462 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -65.46 -29.14 69.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.783 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -44.56 85.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.49 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.2 m -61.96 -40.93 97.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.723 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.52 -31.94 73.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.4 -47.71 49.47 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.425 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.881 ' O ' HG23 ' A' ' 34' ' ' VAL . 21.1 mt -60.48 -32.23 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.847 0.356 . . . . 0.0 110.916 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -65.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.678 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.44 -31.78 70.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.364 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.437 ' HB3' ' HA ' ' A' ' 30' ' ' ILE . 1.7 t80 -62.42 -44.64 95.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.279 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 30' ' ' ILE . 63.7 t -59.92 -75.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.753 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.677 ' HA ' ' N ' ' A' ' 39' ' ' SER . 10.9 p -47.45 -26.73 1.44 Allowed 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.21 -50.11 71.29 Favored Glycine 0 N--CA 1.441 -1.014 0 N-CA-C 108.128 -1.989 . . . . 0.0 108.128 176.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.8 t -91.53 -56.27 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 114.273 -0.963 . . . . 0.0 112.908 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.632 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -82.8 -74.35 0.36 Allowed 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -176.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.677 ' N ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -62.52 1.61 0.35 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.265 -1.334 . . . . 0.0 113.838 -175.822 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 35' ' ' SER . . . 48.97 27.55 6.73 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 121.155 -0.545 . . . . 0.0 113.276 178.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.469 ' H ' ' HB2' ' A' ' 35' ' ' SER . . . 46.02 34.52 2.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.787 0.327 . . . . 0.0 111.556 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.05 107.52 3.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.284 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.9 p -81.59 -29.34 33.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.948 0.404 . . . . 0.0 111.244 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.618 HG23 ' O ' ' A' ' 44' ' ' ILE . 8.1 tp -163.35 70.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.379 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.13 -140.14 7.17 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.73 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -18' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 120.784 0.326 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -17' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -88.64 66.73 8.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.025 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -16' ' ' SER . . . . . . . . . . . . . 28.9 m -92.91 94.91 9.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -15' ' ' VAL . . . . . . . . . . . . . 26.3 t -95.54 -25.62 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.506 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . 0.532 ' O ' HG23 ' A' ' -10' ' ' VAL . 0.0 OUTLIER -84.16 -30.33 25.93 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.295 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' -13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.94 -39.31 34.95 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.096 178.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' -12' ' ' LEU . . . . . 0.817 HD23 ' O ' ' A' ' -12' ' ' LEU . 4.8 tt -73.26 -26.32 61.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.837 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' -11' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -67.63 -32.79 73.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.999 0.428 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -10' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' -14' ' ' LYS . 29.9 t -74.54 -33.93 33.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.145 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' -9' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -55.18 -24.45 26.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.288 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -8' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -56.21 -68.33 0.22 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.089 0.471 . . . . 0.0 111.091 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 6.7 ptm -68.98 -32.57 72.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -6' ' ' LYS . . . . . 0.444 ' HG3' HG12 ' A' ' -10' ' ' VAL . 0.2 OUTLIER -54.01 -58.88 5.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.858 -179.814 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' -5' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -85.24 17.34 3.1 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 111.417 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 6.5 tp -89.46 -62.76 1.4 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.429 0.633 . . . . 0.0 110.346 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.81 -23.21 31.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.112 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -84.93 -151.59 14.72 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.607 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 133.82 156.93 8.11 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.481 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 5.5 m -59.26 118.29 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 0.0 111.167 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -158.79 69.26 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 59.93 39.6 20.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.861 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.07 -33.99 6.01 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.549 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 37.0 t30 63.59 6.23 2.5 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.6 54.81 5.29 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.56 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.721 HG13 ' N ' ' A' ' 8' ' ' SER . 0.5 OUTLIER 41.25 -161.82 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-O 120.853 0.359 . . . . 0.0 111.774 179.852 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.721 ' N ' HG13 ' A' ' 7' ' ' VAL . 1.3 m -113.5 115.07 27.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.3 m -88.88 112.91 23.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 m -156.48 19.1 0.34 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.439 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.05 -31.4 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.691 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.536 ' C ' ' H ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -137.16 173.73 11.37 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.586 -179.288 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.488 ' N ' ' CG2' ' A' ' 12' ' ' THR . 14.4 mttm -69.27 28.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.536 ' H ' ' C ' ' A' ' 12' ' ' THR . 4.1 m 74.78 67.67 0.08 Allowed 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.921 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.83 90.61 0.78 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.513 HG12 ' N ' ' A' ' 17' ' ' ASN . 23.0 t -59.23 161.13 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.987 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.513 ' N ' HG12 ' A' ' 16' ' ' VAL . 54.1 p30 -85.26 52.01 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.039 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 4.0 m0 -76.55 -4.74 44.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.336 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -109.65 -51.24 0.66 Allowed Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.162 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -54.8 -65.71 0.53 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 24' ' ' GLU . . . -64.95 -4.79 4.94 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.403 0.621 . . . . 0.0 112.018 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -70.95 -38.64 72.85 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 177.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -27.0 61.11 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.504 -1.225 . . . . 0.0 108.327 176.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 4.9 mm-40 -67.52 -36.32 80.81 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.201 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.545 ' HG3' ' N ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -74.8 -35.73 62.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.669 179.859 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.545 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -61.91 -35.54 78.68 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.224 179.473 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.2 m -57.83 -39.3 77.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.522 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.49 -31.29 68.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.971 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.08 -46.6 9.13 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.741 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.881 ' O ' HG23 ' A' ' 34' ' ' VAL . 33.2 mm -53.87 -40.41 44.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.747 0.308 . . . . 0.0 111.27 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -54.65 -38.9 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.026 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 m -72.52 -45.95 56.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.072 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -44.47 97.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 30' ' ' ILE . 44.7 t -54.66 -73.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.998 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.725 ' HA ' ' CA ' ' A' ' 39' ' ' SER . 19.8 p -48.6 -53.69 17.46 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -178.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -34.89 -44.23 0.47 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 119.121 -1.514 . . . . 0.0 109.569 178.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 50.7 t -91.4 -71.33 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 114.534 -0.833 . . . . 0.0 111.974 177.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 34' ' ' VAL . . . -83.33 -74.99 0.34 Allowed 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -177.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.725 ' CA ' ' HA ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -63.31 7.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.185 -1.371 . . . . 0.0 114.172 -176.568 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -145.47 54.21 0.55 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.447 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.06 -44.01 0.2 Allowed 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.002 0.429 . . . . 0.0 111.359 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 59.84 90.88 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.504 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.6 t -105.23 -19.76 13.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.713 0.292 . . . . 0.0 111.167 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 44' ' ' ILE . 30.1 mm -103.11 59.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.943 0.402 . . . . 0.0 111.162 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.91 -109.42 2.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.612 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 stop_ save_