data_2lde_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 2lde _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 ' 4' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 122.039 0.923 . . . . 2.4300000000000002 110.06 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -92.31 25.07 3.09 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.416 -1.266 . . . . 2.8199999999999998 107.708 168.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 46.9 ttm -148.47 148.87 30.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 113.973 -1.467 . . . . 1.6000000000000001 109.849 -167.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.2 p -79.55 -173.13 3.6 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 121.541 0.686 . . . . 1.8300000000000001 110.707 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.442 ' O ' ' HG3' ' A' ' 12' ' ' MET . 10.3 p-10 -78.47 -47.28 17.75 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.117 -0.947 . . . . 1.9399999999999999 110.468 -178.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.81 -46.25 85.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 2.0600000000000001 110.191 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -63.65 -36.11 82.76 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.896 -0.593 . . . . 2.6499999999999999 110.608 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.4 t -65.23 -47.42 76.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.77000000000000002 110.1 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.614 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 69.3 mtm -60.72 -32.16 71.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.387 -0.369 . . . . 1.6599999999999999 110.484 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -60.51 -65.23 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.468 -0.333 . . . . 1.3799999999999999 111.471 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -75.52 -26.84 58.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.702 0.286 . . . . 1.0900000000000001 111.641 -171.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 t -95.25 -20.85 18.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.742 0.275 . . . . 1.46 111.742 -171.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.614 ' HB2' ' O ' ' A' ' 12' ' ' MET . 12.1 m170 . . . . . 0 C--N 1.325 -0.47 0 CA-C-O 120.679 0.276 . . . . 3.77 111.109 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.235 0.291 0 CA-C-O 120.613 0.244 . . . . 2.4300000000000002 110.893 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.8 t70 48.19 52.24 13.61 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 122.066 0.936 . . . . 2.8199999999999998 109.709 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.432 ' SD ' ' HA ' ' A' ' 11' ' ' CYS . 47.2 ttm -122.53 148.84 44.7 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.787 -1.097 . . . . 1.6000000000000001 110.456 -172.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.434 ' HB2' ' HB2' ' A' ' 10' ' ' GLU . 6.1 m -61.73 133.26 55.34 Favored 'General case' 0 N--CA 1.434 -1.241 0 N-CA-C 108.977 -0.749 . . . . 1.8300000000000001 108.977 176.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -55.91 -38.85 70.78 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 115.146 -0.934 . . . . 1.9399999999999999 111.443 -175.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.1 tp -71.7 -38.88 70.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.029 0.442 . . . . 2.0600000000000001 110.093 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.434 ' HB2' ' HB2' ' A' ' 7' ' ' SER . 32.5 tt0 -61.47 -40.35 94.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.687 -0.688 . . . . 2.6499999999999999 109.851 177.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.449 ' HA ' ' HD1' ' A' ' 14' ' ' PHE . 36.5 t -63.06 -45.2 93.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.093 -0.958 . . . . 0.77000000000000002 110.841 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.532 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 75.9 mtm -67.22 -23.82 65.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.341 -0.39 . . . . 1.6599999999999999 110.693 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -76.52 -55.59 5.39 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.969 -0.293 . . . . 1.3799999999999999 111.172 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.449 ' HD1' ' HA ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -70.54 -33.25 70.95 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.607 0.225 . . . . 1.0900000000000001 111.607 -173.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.6 t -80.92 -43.97 19.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.761 0.315 . . . . 1.46 111.613 -176.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.532 ' HB2' ' O ' ' A' ' 12' ' ' MET . 18.2 m170 . . . . . 0 C--N 1.326 -0.423 0 N-CA-C 111.99 0.367 . . . . 3.77 111.99 -172.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.652 0.263 . . . . 2.4300000000000002 110.464 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 63.36 21.21 12.68 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.435 0.636 . . . . 2.8199999999999998 110.315 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.446 ' SD ' ' HA ' ' A' ' 11' ' ' CYS . 40.2 ttm -91.85 133.75 35.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.105 -0.952 . . . . 1.6000000000000001 109.417 -177.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 9' ' ' LEU . 7.8 m -71.71 83.11 0.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.352 0.501 . . . . 1.8300000000000001 112.352 -172.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.7 t70 30.73 -76.76 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.177 1.791 . . . . 1.9399999999999999 114.94 175.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 7' ' ' SER . 58.7 tp -54.84 -37.81 66.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.993 0.425 . . . . 2.0600000000000001 110.305 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.86 -33.73 70.79 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 115.436 -0.802 . . . . 2.6499999999999999 111.259 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.446 ' HA ' ' SD ' ' A' ' 6' ' ' MET . 52.8 t -60.32 -46.7 88.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.381 0.61 . . . . 0.77000000000000002 110.074 178.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 73.8 mtm -73.92 -34.02 64.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.514 -0.766 . . . . 1.6599999999999999 110.298 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -60.44 -56.34 22.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.857 -0.61 . . . . 1.3799999999999999 110.991 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -39.24 78.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 1.0900000000000001 110.906 -175.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -69.81 -49.16 55.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.969 0.414 . . . . 1.46 111.394 -175.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 . . . . . 0 C--N 1.324 -0.504 0 N-CA-C 112.069 0.396 . . . . 3.77 112.069 -174.561 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.619 0.247 . . . . 2.4300000000000002 110.519 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.3 t70 56.91 31.25 19.4 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.877 0.846 . . . . 2.8199999999999998 110.131 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 23.5 tpp -105.64 159.49 15.93 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.207 -0.906 . . . . 1.6000000000000001 110.291 -175.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.515 ' HB2' ' HB3' ' A' ' 10' ' ' GLU . 6.0 m -81.36 -166.22 1.12 Allowed 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 109.301 -0.629 . . . . 1.8300000000000001 109.301 177.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -82.92 -69.07 0.65 Allowed 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 120.77 0.319 . . . . 1.9399999999999999 111.008 -177.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.52 -39.49 91.21 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.626 -0.509 . . . . 2.0600000000000001 109.626 178.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.515 ' HB3' ' HB2' ' A' ' 7' ' ' SER . 44.1 tt0 -55.56 -40.0 71.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.182 -0.917 . . . . 2.6499999999999999 111.033 176.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.507 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 49.7 t -66.91 -40.27 87.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.189 0.519 . . . . 0.77000000000000002 110.277 179.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 75.5 mtm -71.69 -24.28 61.8 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.167 -0.47 . . . . 1.6599999999999999 110.352 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -66.28 -56.19 12.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.709 -0.223 . . . . 1.3799999999999999 111.244 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.507 ' CE1' ' HA ' ' A' ' 11' ' ' CYS . 8.7 p90 -74.29 -27.47 60.74 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 120.783 -0.367 . . . . 1.0900000000000001 110.941 -174.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.3 t -83.42 -45.32 13.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.296 0.48 . . . . 1.46 112.296 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.498 ' HB2' ' O ' ' A' ' 12' ' ' MET . 18.5 m170 . . . . . 0 N--CA 1.464 0.273 0 N-CA-C 111.904 0.335 . . . . 3.77 111.904 -172.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.461 0.172 . . . . 2.4300000000000002 110.594 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 59.36 42.11 18.6 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.421 0.629 . . . . 2.8199999999999998 109.704 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.496 ' HG3' ' CB ' ' A' ' 10' ' ' GLU . 24.1 ttp -152.01 144.51 24.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.16 -0.927 . . . . 1.6000000000000001 110.327 -169.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.1 p -89.48 -171.38 3.2 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.071 0.462 . . . . 1.8300000000000001 110.714 -174.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -67.44 -54.6 18.91 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.353 -0.839 . . . . 1.9399999999999999 111.48 -174.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.77 -46.91 87.71 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 120.824 0.345 . . . . 2.0600000000000001 110.082 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.496 ' CB ' ' HG3' ' A' ' 6' ' ' MET . 50.9 mt-10 -57.67 -43.93 85.39 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.663 -0.699 . . . . 2.6499999999999999 111.161 178.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.1 t -65.93 -41.75 90.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.708 -0.678 . . . . 0.77000000000000002 110.701 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.559 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 72.9 mtm -66.64 -35.98 81.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.185 -0.462 . . . . 1.6599999999999999 110.065 177.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -60.05 -63.97 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.582 -0.281 . . . . 1.3799999999999999 110.933 177.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.22 -29.35 70.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.609 0.243 . . . . 1.0900000000000001 111.581 -172.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.7 t -87.26 -28.76 22.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.826 0.346 . . . . 1.46 111.335 -175.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.559 ' HB2' ' O ' ' A' ' 12' ' ' MET . 7.5 m170 . . . . . 0 C--N 1.327 -0.371 0 O-C-N 122.065 -0.397 . . . . 3.77 112.065 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.45 -0.43 0 CA-C-O 120.469 0.176 . . . . 2.4300000000000002 110.555 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.1 t70 64.84 18.91 11.68 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 122.18 0.99 . . . . 2.8199999999999998 109.468 -178.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.537 ' HG3' ' HB3' ' A' ' 10' ' ' GLU . 14.2 tpp -95.79 120.14 35.53 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.861 -1.063 . . . . 1.6000000000000001 110.19 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -72.88 90.24 1.44 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.418 -0.355 . . . . 1.8300000000000001 111.222 -177.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.4 t70 32.65 -80.35 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.928 1.691 . . . . 1.9399999999999999 114.369 174.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.0 tp -56.72 -36.51 69.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.952 -0.567 . . . . 2.0600000000000001 111.011 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.537 ' HB3' ' HG3' ' A' ' 6' ' ' MET . 8.0 tp10 -67.29 -29.61 69.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.111 0.481 . . . . 2.6499999999999999 110.283 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.555 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 33.8 t -69.89 -35.27 74.51 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.235 -0.654 . . . . 0.77000000000000002 109.235 176.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.586 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 70.6 mtp -66.37 -32.16 73.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.339 -0.846 . . . . 1.6599999999999999 109.69 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -68.87 -61.06 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.044 -0.525 . . . . 1.3799999999999999 111.26 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.555 ' CD1' ' HA ' ' A' ' 11' ' ' CYS . 3.5 p90 -70.01 -24.99 63.38 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.943 0.349 . . . . 1.0900000000000001 111.943 -171.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.9 t -96.74 -33.64 11.63 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.146 0.425 . . . . 1.46 112.146 -175.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.586 ' HB2' ' O ' ' A' ' 12' ' ' MET . 30.3 m-70 . . . . . 0 N--CA 1.465 0.311 0 CA-C-O 120.773 0.32 . . . . 3.77 111.348 -174.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.514 ' C ' ' H ' ' A' ' 6' ' ' MET . 7.2 m . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 109.304 -0.628 . . . . 2.4300000000000002 109.304 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.2 t70 74.27 -28.82 0.19 Allowed 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.953 0.783 . . . . 2.8199999999999998 110.808 -175.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.514 ' H ' ' C ' ' A' ' 4' ' ' THR . 32.1 tpp -57.08 123.1 14.04 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.578 -0.737 . . . . 1.6000000000000001 110.043 176.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.3 m -93.56 104.42 16.55 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.133 0.42 . . . . 1.8300000000000001 112.133 -170.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 39.12 -82.94 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.68 1.592 . . . . 1.9399999999999999 114.104 171.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.9 tp -56.69 -46.74 81.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.216 -0.902 . . . . 2.0600000000000001 110.96 -175.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.43 -29.75 70.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.103 -0.499 . . . . 2.6499999999999999 110.377 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.593 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 51.6 t -65.13 -48.33 73.95 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.77000000000000002 109.949 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 71.2 mtm -59.1 -34.3 71.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.576 -0.284 . . . . 1.6599999999999999 110.797 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -59.71 -59.39 5.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.597 -0.274 . . . . 1.3799999999999999 111.291 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.593 ' CE1' ' HA ' ' A' ' 11' ' ' CYS . 5.2 p90 -75.53 -13.29 60.35 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.104 0.478 . . . . 1.0900000000000001 110.645 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -83.83 -48.72 9.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.3 -0.409 . . . . 1.46 111.397 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 p80 . . . . . 0 N--CA 1.457 -0.125 0 C-N-CA 120.953 -0.299 . . . . 3.77 110.714 -174.186 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.449 -0.499 0 CA-C-O 120.724 0.297 . . . . 2.4300000000000002 110.425 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 62.06 26.39 15.89 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.565 -0.743 . . . . 2.8199999999999998 110.53 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.418 ' HG2' ' HB3' ' A' ' 10' ' ' GLU . 41.3 ttm -108.55 147.68 31.41 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.835 -0.62 . . . . 1.6000000000000001 109.835 -178.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.8 m -90.32 104.57 17.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.883 -0.144 . . . . 1.8300000000000001 110.811 -176.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 21.21 -78.22 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.107 1.763 . . . . 1.9399999999999999 115.174 171.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.4 tp -57.06 -42.84 81.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.777 -0.647 . . . . 2.0600000000000001 111.215 -174.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.418 ' HB3' ' HG2' ' A' ' 6' ' ' MET . 5.0 tp10 -63.26 -34.85 78.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.386 0.612 . . . . 2.6499999999999999 110.126 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.413 ' HA ' ' SD ' ' A' ' 6' ' ' MET . 48.7 t -65.18 -40.09 93.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.407 -0.815 . . . . 0.77000000000000002 110.157 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.501 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 73.5 mtm -70.91 -31.0 67.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.015 -0.539 . . . . 1.6599999999999999 110.238 178.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -61.37 -57.59 11.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.444 -0.344 . . . . 1.3799999999999999 110.949 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -74.11 -38.87 63.69 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.535 -0.302 . . . . 1.0900000000000001 111.155 -174.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.7 t -71.41 -31.19 66.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.556 0.217 . . . . 1.46 111.2 -175.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.501 ' HB2' ' O ' ' A' ' 12' ' ' MET . 86.6 m-70 . . . . . 0 C--N 1.327 -0.406 0 C-N-CA 121.061 -0.255 . . . . 3.77 111.005 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.756 -0.461 . . . . 2.4300000000000002 109.756 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 37.0 t70 64.65 18.07 11.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 122.234 1.016 . . . . 2.8199999999999998 109.725 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 16.3 ttp -114.15 130.71 56.59 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.83 -1.077 . . . . 1.6000000000000001 110.201 -176.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.6 m -87.51 106.78 18.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.972 -0.558 . . . . 1.8300000000000001 111.629 -171.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.516 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 13.3 m-20 26.87 -77.01 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 126.207 1.803 . . . . 1.9399999999999999 115.103 169.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.5 tp -55.24 -45.29 76.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.229 -0.441 . . . . 2.0600000000000001 110.773 -176.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -66.47 -31.73 72.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.13 0.491 . . . . 2.6499999999999999 110.166 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.516 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 42.2 t -61.95 -44.12 97.42 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.649 -0.705 . . . . 0.77000000000000002 109.582 174.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.494 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 70.4 mtm -68.43 -38.5 81.24 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.109 -0.496 . . . . 1.6599999999999999 110.494 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -57.62 -38.36 74.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.905 0.384 . . . . 1.3799999999999999 111.188 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -91.6 -26.61 18.63 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.054 0.39 . . . . 1.0900000000000001 112.054 -174.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.0 t -94.41 -26.3 16.57 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.66 -0.416 . . . . 1.46 111.437 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.494 ' HB2' ' O ' ' A' ' 12' ' ' MET . 10.5 m170 . . . . . 0 N--CA 1.465 0.293 0 O-C-N 122.085 -0.384 . . . . 3.77 111.71 -177.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 109.823 -0.436 . . . . 2.4300000000000002 109.823 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 64.15 18.46 11.27 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.605 0.566 . . . . 2.8199999999999998 110.476 -175.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.4 tpp -120.64 146.29 46.54 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.679 -0.691 . . . . 1.6000000000000001 110.649 -177.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -84.81 -179.46 7.1 Favored 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 107.989 -1.115 . . . . 1.8300000000000001 107.989 172.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -69.78 -42.11 74.22 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 116.122 -0.49 . . . . 1.9399999999999999 110.557 -173.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.7 tp -72.85 -44.09 61.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.408 -0.36 . . . . 2.0600000000000001 110.17 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 8.1 tp10 -62.42 -36.8 83.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.041 -0.527 . . . . 2.6499999999999999 110.544 -178.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.576 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 37.7 t -63.93 -41.05 97.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.032 -0.531 . . . . 0.77000000000000002 109.949 177.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.5 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 76.1 mtm -69.77 -26.01 64.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.316 -0.402 . . . . 1.6599999999999999 110.584 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' A' ' 10' ' ' GLU . 94.1 m-20 -62.03 -63.22 1.32 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.705 0.288 . . . . 1.3799999999999999 110.648 176.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.576 ' CE1' ' HA ' ' A' ' 11' ' ' CYS . 7.8 p90 -69.36 -27.07 65.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.798 0.332 . . . . 1.0900000000000001 111.13 -175.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 t -85.97 -34.57 20.81 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.948 0.351 . . . . 1.46 111.948 -175.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.5 ' HB2' ' O ' ' A' ' 12' ' ' MET . 67.2 m170 . . . . . 0 N--CA 1.464 0.273 0 N-CA-C 112.001 0.371 . . . . 3.77 112.001 -174.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 52.5 t . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.793 0.33 . . . . 2.8999999999999999 110.404 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 m -126.82 110.47 13.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.563 -0.29 . . . . 2.0 111.15 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.4 p -124.71 93.27 3.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.397 0.618 . . . . 0.97999999999999998 110.654 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.5 t -132.25 -26.79 1.86 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.039 0.923 . . . . 2.4300000000000002 110.06 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -92.31 25.07 3.09 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.416 -1.266 . . . . 2.8199999999999998 107.708 168.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 46.9 ttm -148.47 148.87 30.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 113.973 -1.467 . . . . 1.6000000000000001 109.849 -167.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.2 p -79.55 -173.13 3.6 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 121.541 0.686 . . . . 1.8300000000000001 110.707 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.442 ' O ' ' HG3' ' A' ' 12' ' ' MET . 10.3 p-10 -78.47 -47.28 17.75 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.117 -0.947 . . . . 1.9399999999999999 110.468 -178.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.81 -46.25 85.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 2.0600000000000001 110.191 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -63.65 -36.11 82.76 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.896 -0.593 . . . . 2.6499999999999999 110.608 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.4 t -65.23 -47.42 76.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.77000000000000002 110.1 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.614 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 69.3 mtm -60.72 -32.16 71.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.387 -0.369 . . . . 1.6599999999999999 110.484 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -60.51 -65.23 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.468 -0.333 . . . . 1.3799999999999999 111.471 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -75.52 -26.84 58.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.702 0.286 . . . . 1.0900000000000001 111.641 -171.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 t -95.25 -20.85 18.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.742 0.275 . . . . 1.46 111.742 -171.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.614 ' HB2' ' O ' ' A' ' 12' ' ' MET . 12.1 m170 -116.39 22.7 12.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.679 0.276 . . . . 3.77 111.109 -178.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -92.36 11.54 25.66 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.33 0.586 . . . . 3.4100000000000001 111.033 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -135.39 17.52 3.39 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.461 -0.791 . . . . 3.5499999999999998 110.483 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.449 HG23 HG11 ' A' ' 22' ' ' VAL . 7.0 m -68.2 137.9 23.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.112 -0.495 . . . . 3.5099999999999998 109.887 177.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.9 tp -94.91 -15.34 7.73 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.939 -0.573 . . . . 5.4500000000000002 111.14 -173.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 40.7 p-90 -82.42 21.9 0.9 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.131 0.491 . . . . 5.2699999999999996 112.213 -174.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.449 HG11 HG23 ' A' ' 19' ' ' VAL . 21.1 m -89.57 18.51 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.868 -0.606 . . . . 6.4800000000000004 111.234 -179.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -148.44 -55.98 0.21 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.092 -0.958 . . . . 9.0099999999999998 109.568 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -115.93 133.76 55.69 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.258 -0.883 . . . . 12.09 110.567 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.9 t30 . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.339 -0.839 . . . . 12.619999999999999 109.35 172.724 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 86.1 m . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 120.798 0.333 . . . . 2.8999999999999999 110.468 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 m -94.08 106.07 18.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.4 -0.364 . . . . 2.0 110.196 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -97.9 87.04 3.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.875 -0.416 . . . . 0.97999999999999998 109.875 -178.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.1 m -70.76 95.72 1.16 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.412 -0.358 . . . . 2.4300000000000002 110.893 -178.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.8 t70 48.19 52.24 13.61 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 122.066 0.936 . . . . 2.8199999999999998 109.709 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.432 ' SD ' ' HA ' ' A' ' 11' ' ' CYS . 47.2 ttm -122.53 148.84 44.7 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.787 -1.097 . . . . 1.6000000000000001 110.456 -172.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.434 ' HB2' ' HB2' ' A' ' 10' ' ' GLU . 6.1 m -61.73 133.26 55.34 Favored 'General case' 0 N--CA 1.434 -1.241 0 N-CA-C 108.977 -0.749 . . . . 1.8300000000000001 108.977 176.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -55.91 -38.85 70.78 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 115.146 -0.934 . . . . 1.9399999999999999 111.443 -175.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.1 tp -71.7 -38.88 70.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.029 0.442 . . . . 2.0600000000000001 110.093 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.434 ' HB2' ' HB2' ' A' ' 7' ' ' SER . 32.5 tt0 -61.47 -40.35 94.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.687 -0.688 . . . . 2.6499999999999999 109.851 177.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.449 ' HA ' ' HD1' ' A' ' 14' ' ' PHE . 36.5 t -63.06 -45.2 93.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.093 -0.958 . . . . 0.77000000000000002 110.841 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.532 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 75.9 mtm -67.22 -23.82 65.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.341 -0.39 . . . . 1.6599999999999999 110.693 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -76.52 -55.59 5.39 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.969 -0.293 . . . . 1.3799999999999999 111.172 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.774 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -70.54 -33.25 70.95 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.607 0.225 . . . . 1.0900000000000001 111.607 -173.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.6 t -80.92 -43.97 19.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.761 0.315 . . . . 1.46 111.613 -176.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.532 ' HB2' ' O ' ' A' ' 12' ' ' MET . 18.2 m170 -75.41 -13.68 60.41 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.99 0.367 . . . . 3.77 111.99 -172.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.774 ' HE3' ' HA ' ' A' ' 14' ' ' PHE . 22.8 pttp -87.46 -1.68 58.09 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 120.939 0.4 . . . . 3.4100000000000001 111.694 -177.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -136.68 14.72 3.15 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.94 -0.573 . . . . 3.5499999999999998 111.348 -177.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.503 HG23 ' HB ' ' A' ' 22' ' ' VAL . 8.1 m -66.55 120.92 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.397 0.618 . . . . 3.5099999999999998 110.461 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.1 tp -85.5 -9.83 11.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.505 -0.771 . . . . 5.4500000000000002 109.883 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 -102.69 26.53 7.88 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 115.015 -0.993 . . . . 5.2699999999999996 110.499 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.6 HG21 ' ND2' ' A' ' 23' ' ' ASN . 3.7 p -65.07 108.53 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 CA-C-N 115.055 -0.975 . . . . 6.4800000000000004 110.345 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.6 ' ND2' HG21 ' A' ' 22' ' ' VAL . 65.2 m-80 97.45 158.95 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.048 1.339 . . . . 9.0099999999999998 111.573 175.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 72.06 -70.32 0.16 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 114.649 -1.159 . . . . 12.09 112.406 175.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--O 1.248 1.026 0 O-C-N 124.021 0.825 . . . . 12.619999999999999 109.517 -169.163 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 81.0 m . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 121.005 0.431 . . . . 2.8999999999999999 110.339 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.6 m -91.69 107.86 19.5 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.796 -0.638 . . . . 2.0 110.256 178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.428 ' HA ' ' HE1' ' A' ' 6' ' ' MET . 29.9 m -102.59 86.59 2.81 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.716 -0.675 . . . . 0.97999999999999998 110.127 -177.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.5 m -97.36 113.31 24.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.606 -0.725 . . . . 2.4300000000000002 110.464 -174.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 63.36 21.21 12.68 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.435 0.636 . . . . 2.8199999999999998 110.315 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.446 ' SD ' ' HA ' ' A' ' 11' ' ' CYS . 40.2 ttm -91.85 133.75 35.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.105 -0.952 . . . . 1.6000000000000001 109.417 -177.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 9' ' ' LEU . 7.8 m -71.71 83.11 0.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.352 0.501 . . . . 1.8300000000000001 112.352 -172.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.7 t70 30.73 -76.76 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.177 1.791 . . . . 1.9399999999999999 114.94 175.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.538 HD23 HG21 ' A' ' 22' ' ' VAL . 58.7 tp -54.84 -37.81 66.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.993 0.425 . . . . 2.0600000000000001 110.305 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.86 -33.73 70.79 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 115.436 -0.802 . . . . 2.6499999999999999 111.259 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.446 ' HA ' ' SD ' ' A' ' 6' ' ' MET . 52.8 t -60.32 -46.7 88.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.381 0.61 . . . . 0.77000000000000002 110.074 178.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 73.8 mtm -73.92 -34.02 64.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.514 -0.766 . . . . 1.6599999999999999 110.298 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -60.44 -56.34 22.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.857 -0.61 . . . . 1.3799999999999999 110.991 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.423 ' HE1' ' SG ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -69.34 -39.24 78.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 1.0900000000000001 110.906 -175.564 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -69.81 -49.16 55.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.969 0.414 . . . . 1.46 111.394 -175.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -97.24 -52.67 3.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.069 0.396 . . . . 3.77 112.069 -174.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm 64.68 24.96 13.01 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.52 0.676 . . . . 3.4100000000000001 110.425 -171.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -105.31 5.82 32.24 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-N 115.28 -0.873 . . . . 3.5499999999999998 109.812 175.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.46 HG12 ' HB ' ' A' ' 22' ' ' VAL . 43.7 t -76.84 94.79 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 CA-C-N 114.993 -1.003 . . . . 3.5099999999999998 110.657 -175.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.423 ' C ' ' H ' ' A' ' 22' ' ' VAL . 1.1 tp -91.02 -22.11 6.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 115.153 -0.931 . . . . 5.4500000000000002 108.882 174.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 7.3 p-90 -83.5 29.11 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.39 -1.277 . . . . 5.2699999999999996 111.108 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.538 HG21 HD23 ' A' ' 9' ' ' LEU . 12.5 p -105.35 9.18 9.5 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 CA-C-N 114.534 -1.212 . . . . 6.4800000000000004 108.089 174.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -78.45 101.0 7.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 113.843 -1.526 . . . . 9.0099999999999998 110.577 -177.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -112.63 -8.96 13.78 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.693 -0.685 . . . . 12.09 110.229 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.321 -0.847 . . . . 12.619999999999999 109.82 177.068 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 66.1 m . . . . . 0 N--CA 1.475 0.825 0 CA-C-O 120.902 0.382 . . . . 2.8999999999999999 110.534 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 t -99.45 109.25 21.84 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.3 -0.63 . . . . 2.0 109.3 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.591 ' HB3' ' HB3' ' A' ' 6' ' ' MET . 3.9 m -85.92 98.27 10.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.232 -0.44 . . . . 0.97999999999999998 110.798 -176.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.5 m -86.37 98.94 11.27 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.445 -0.343 . . . . 2.4300000000000002 110.519 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.3 t70 56.91 31.25 19.4 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.877 0.846 . . . . 2.8199999999999998 110.131 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.591 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 23.5 tpp -105.64 159.49 15.93 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.207 -0.906 . . . . 1.6000000000000001 110.291 -175.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.515 ' HB2' ' HB3' ' A' ' 10' ' ' GLU . 6.0 m -81.36 -166.22 1.12 Allowed 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 109.301 -0.629 . . . . 1.8300000000000001 109.301 177.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -82.92 -69.07 0.65 Allowed 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 120.77 0.319 . . . . 1.9399999999999999 111.008 -177.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.52 -39.49 91.21 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.626 -0.509 . . . . 2.0600000000000001 109.626 178.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.515 ' HB3' ' HB2' ' A' ' 7' ' ' SER . 44.1 tt0 -55.56 -40.0 71.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.182 -0.917 . . . . 2.6499999999999999 111.033 176.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.507 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 49.7 t -66.91 -40.27 87.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.189 0.519 . . . . 0.77000000000000002 110.277 179.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 75.5 mtm -71.69 -24.28 61.8 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.167 -0.47 . . . . 1.6599999999999999 110.352 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -66.28 -56.19 12.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.709 -0.223 . . . . 1.3799999999999999 111.244 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.507 ' CE1' ' HA ' ' A' ' 11' ' ' CYS . 8.7 p90 -74.29 -27.47 60.74 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 120.783 -0.367 . . . . 1.0900000000000001 110.941 -174.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.3 t -83.42 -45.32 13.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.296 0.48 . . . . 1.46 112.296 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.498 ' HB2' ' O ' ' A' ' 12' ' ' MET . 18.5 m170 -82.97 2.4 34.94 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.904 0.335 . . . . 3.77 111.904 -172.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -88.69 -2.46 58.6 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.412 0.625 . . . . 3.4100000000000001 110.251 175.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -129.26 32.91 4.62 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 114.997 -1.002 . . . . 3.5499999999999998 110.613 -177.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 22' ' ' VAL . 31.1 m -58.75 127.8 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.309 0.576 . . . . 3.5099999999999998 110.127 176.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.6 tp -83.71 -1.57 6.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.971 -0.559 . . . . 5.4500000000000002 111.485 -172.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 5.5 p-90 -108.56 39.17 2.05 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.42 0.526 . . . . 5.2699999999999996 112.42 -177.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 19' ' ' VAL . 62.1 t -74.54 104.4 3.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.423 -0.353 . . . . 6.4800000000000004 110.723 177.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.8 t30 72.51 118.86 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.942 0.777 . . . . 9.0099999999999998 111.023 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -105.16 -22.92 13.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.946 -0.57 . . . . 12.09 110.476 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.48 -0.771 . . . . 12.619999999999999 110.11 179.845 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.5 m . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.147 -0.316 . . . . 2.8999999999999999 110.147 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -78.02 101.83 7.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.099 0.476 . . . . 2.0 110.508 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 m -92.44 97.17 10.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.097 -0.501 . . . . 0.97999999999999998 110.094 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.1 m -95.45 112.77 24.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.397 -0.365 . . . . 2.4300000000000002 110.594 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 59.36 42.11 18.6 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.421 0.629 . . . . 2.8199999999999998 109.704 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.496 ' HG3' ' CB ' ' A' ' 10' ' ' GLU . 24.1 ttp -152.01 144.51 24.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.16 -0.927 . . . . 1.6000000000000001 110.327 -169.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.1 p -89.48 -171.38 3.2 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.071 0.462 . . . . 1.8300000000000001 110.714 -174.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -67.44 -54.6 18.91 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.353 -0.839 . . . . 1.9399999999999999 111.48 -174.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.77 -46.91 87.71 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 120.824 0.345 . . . . 2.0600000000000001 110.082 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.496 ' CB ' ' HG3' ' A' ' 6' ' ' MET . 50.9 mt-10 -57.67 -43.93 85.39 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.663 -0.699 . . . . 2.6499999999999999 111.161 178.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.1 t -65.93 -41.75 90.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.708 -0.678 . . . . 0.77000000000000002 110.701 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.559 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 72.9 mtm -66.64 -35.98 81.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.185 -0.462 . . . . 1.6599999999999999 110.065 177.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.417 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 95.7 m-20 -60.05 -63.97 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.582 -0.281 . . . . 1.3799999999999999 110.933 177.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.458 ' HA ' ' HD3' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -63.22 -29.35 70.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.609 0.243 . . . . 1.0900000000000001 111.581 -172.229 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.7 t -87.26 -28.76 22.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.826 0.346 . . . . 1.46 111.335 -175.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.604 ' HA ' ' HE1' ' A' ' 21' ' ' TRP . 7.5 m170 -102.6 -5.2 24.15 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 122.065 -0.397 . . . . 3.77 112.065 -177.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.473 ' HG3' ' OD2' ' A' ' 18' ' ' ASP . 23.1 pttp -70.92 -7.75 48.04 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.512 0.93 . . . . 3.4100000000000001 113.512 -171.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.473 ' OD2' ' HG3' ' A' ' 17' ' ' LYS . 20.5 m-20 -138.19 -7.51 1.56 Allowed 'General case' 0 C--N 1.308 -1.2 0 C-N-CA 120.779 -0.368 . . . . 3.5499999999999998 111.457 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 19' ' ' VAL . 59.9 t 52.39 59.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 122.369 1.08 . . . . 3.5099999999999998 109.856 -171.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.3 tp -71.14 -17.29 19.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 114.911 -1.04 . . . . 5.4500000000000002 109.28 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.604 ' HE1' ' HA ' ' A' ' 16' ' ' HIS . 14.3 p-90 -88.49 23.35 2.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.705 -1.134 . . . . 5.2699999999999996 111.125 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.0 p -61.21 96.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.069 -0.969 . . . . 6.4800000000000004 111.156 -178.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -131.92 103.42 6.3 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.328 -0.851 . . . . 9.0099999999999998 109.494 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.639 ' HD3' ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -167.61 -35.39 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.01 -0.996 . . . . 12.09 109.442 -173.047 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.639 ' N ' ' HD3' ' A' ' 24' ' ' ARG . 21.8 t-20 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 114.464 -1.244 . . . . 12.619999999999999 108.015 175.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 71.9 m . . . . . 0 N--CA 1.475 0.798 0 CA-C-O 120.8 0.333 . . . . 2.8999999999999999 110.661 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 m -91.4 95.84 10.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.952 0.406 . . . . 2.0 109.926 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 m -83.22 91.38 7.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.311 -0.404 . . . . 0.97999999999999998 110.181 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.5 m -98.39 103.44 15.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.394 -0.366 . . . . 2.4300000000000002 110.555 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.1 t70 64.84 18.91 11.68 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 122.18 0.99 . . . . 2.8199999999999998 109.468 -178.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.537 ' HG3' ' HB3' ' A' ' 10' ' ' GLU . 14.2 tpp -95.79 120.14 35.53 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.861 -1.063 . . . . 1.6000000000000001 110.19 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -72.88 90.24 1.44 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.418 -0.355 . . . . 1.8300000000000001 111.222 -177.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.4 t70 32.65 -80.35 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.928 1.691 . . . . 1.9399999999999999 114.369 174.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.0 tp -56.72 -36.51 69.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.952 -0.567 . . . . 2.0600000000000001 111.011 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.537 ' HB3' ' HG3' ' A' ' 6' ' ' MET . 8.0 tp10 -67.29 -29.61 69.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.111 0.481 . . . . 2.6499999999999999 110.283 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.555 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 33.8 t -69.89 -35.27 74.51 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.235 -0.654 . . . . 0.77000000000000002 109.235 176.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.586 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 70.6 mtp -66.37 -32.16 73.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.339 -0.846 . . . . 1.6599999999999999 109.69 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -68.87 -61.06 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.044 -0.525 . . . . 1.3799999999999999 111.26 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.555 ' CD1' ' HA ' ' A' ' 11' ' ' CYS . 3.5 p90 -70.01 -24.99 63.38 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.943 0.349 . . . . 1.0900000000000001 111.943 -171.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.9 t -96.74 -33.64 11.63 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.146 0.425 . . . . 1.46 112.146 -175.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.586 ' HB2' ' O ' ' A' ' 12' ' ' MET . 30.3 m-70 -95.83 12.29 30.66 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.773 0.32 . . . . 3.77 111.348 -174.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.432 ' HE2' ' HB2' ' A' ' 17' ' ' LYS . 8.0 ptmm? -92.96 16.86 11.69 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.359 0.599 . . . . 3.4100000000000001 110.264 174.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -137.56 43.85 2.27 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.098 -0.956 . . . . 3.5499999999999998 110.023 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.496 HG21 HG13 ' A' ' 22' ' ' VAL . 30.2 m -63.38 134.17 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.884 -0.598 . . . . 3.5099999999999998 110.315 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.2 tp -88.61 -13.3 9.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.124 0.487 . . . . 5.4500000000000002 110.918 -174.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 9.1 p-90 -89.74 40.34 0.99 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.002 0.43 . . . . 5.2699999999999996 111.946 -175.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.496 HG13 HG21 ' A' ' 19' ' ' VAL . 23.5 m -92.53 14.53 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.498 0.666 . . . . 6.4800000000000004 110.29 176.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -137.58 131.56 31.82 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.131 -0.94 . . . . 9.0099999999999998 110.504 -176.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 62.77 79.8 0.25 Allowed 'General case' 0 C--O 1.236 0.376 0 O-C-N 124.109 0.881 . . . . 12.09 111.36 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.272 -0.87 . . . . 12.619999999999999 109.961 179.089 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 65.2 m . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.846 -0.427 . . . . 2.8999999999999999 109.846 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -95.03 98.69 10.86 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.954 0.407 . . . . 2.0 110.61 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.478 ' HB3' ' HB3' ' A' ' 6' ' ' MET . 0.0 OUTLIER -93.61 100.73 12.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.275 -0.421 . . . . 0.97999999999999998 110.244 179.502 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.514 ' C ' ' H ' ' A' ' 6' ' ' MET . 7.2 m -98.7 110.48 23.07 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.304 -0.628 . . . . 2.4300000000000002 109.304 179.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.2 t70 74.27 -28.82 0.19 Allowed 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.953 0.783 . . . . 2.8199999999999998 110.808 -175.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.514 ' H ' ' C ' ' A' ' 4' ' ' THR . 32.1 tpp -57.08 123.1 14.04 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.578 -0.737 . . . . 1.6000000000000001 110.043 176.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.3 m -93.56 104.42 16.55 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.133 0.42 . . . . 1.8300000000000001 112.133 -170.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 39.12 -82.94 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.68 1.592 . . . . 1.9399999999999999 114.104 171.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.9 tp -56.69 -46.74 81.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.216 -0.902 . . . . 2.0600000000000001 110.96 -175.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.43 -29.75 70.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.103 -0.499 . . . . 2.6499999999999999 110.377 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.593 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 51.6 t -65.13 -48.33 73.95 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.77000000000000002 109.949 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 71.2 mtm -59.1 -34.3 71.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.576 -0.284 . . . . 1.6599999999999999 110.797 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -59.71 -59.39 5.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.597 -0.274 . . . . 1.3799999999999999 111.291 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.593 ' CE1' ' HA ' ' A' ' 11' ' ' CYS . 5.2 p90 -75.53 -13.29 60.35 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.104 0.478 . . . . 1.0900000000000001 110.645 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -83.83 -48.72 9.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.3 -0.409 . . . . 1.46 111.397 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -72.83 -26.3 61.44 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 120.953 -0.299 . . . . 3.77 110.714 -174.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.616 ' HZ2' ' HB3' ' A' ' 17' ' ' LYS . 4.9 mmmp? 50.23 32.24 5.93 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.883 0.697 . . . . 3.4100000000000001 112.883 173.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 62.13 10.66 3.85 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 122.912 0.485 . . . . 3.5499999999999998 111.689 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.517 ' O ' HG13 ' A' ' 19' ' ' VAL . 49.4 t 51.9 48.36 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 122.8 1.285 . . . . 3.5099999999999998 109.971 -174.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.7 tp -78.99 -12.85 13.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.369 -1.287 . . . . 5.4500000000000002 108.982 174.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -84.59 28.01 0.69 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.762 -1.108 . . . . 5.2699999999999996 111.691 -178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.0 p -100.96 5.81 10.06 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-O 122.613 1.196 . . . . 6.4800000000000004 109.227 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -120.28 117.35 27.59 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 114.131 -1.395 . . . . 9.0099999999999998 109.356 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -161.3 174.1 14.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.281 -0.418 . . . . 12.09 110.072 -176.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--O 1.248 0.992 0 N-CA-C 109.098 -0.704 . . . . 12.619999999999999 109.098 178.101 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 120.992 0.425 . . . . 2.8999999999999999 110.432 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 m -104.48 104.0 13.78 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.098 -0.501 . . . . 2.0 109.942 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 m -91.95 100.55 13.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.096 -0.502 . . . . 0.97999999999999998 110.683 -175.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.2 m -94.29 100.65 12.66 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.724 0.297 . . . . 2.4300000000000002 110.425 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 62.06 26.39 15.89 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.565 -0.743 . . . . 2.8199999999999998 110.53 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.418 ' HG2' ' HB3' ' A' ' 10' ' ' GLU . 41.3 ttm -108.55 147.68 31.41 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.835 -0.62 . . . . 1.6000000000000001 109.835 -178.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.8 m -90.32 104.57 17.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.883 -0.144 . . . . 1.8300000000000001 110.811 -176.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 21.21 -78.22 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.107 1.763 . . . . 1.9399999999999999 115.174 171.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.4 tp -57.06 -42.84 81.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.777 -0.647 . . . . 2.0600000000000001 111.215 -174.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' HB3' ' HG2' ' A' ' 6' ' ' MET . 5.0 tp10 -63.26 -34.85 78.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.386 0.612 . . . . 2.6499999999999999 110.126 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.413 ' HA ' ' SD ' ' A' ' 6' ' ' MET . 48.7 t -65.18 -40.09 93.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.407 -0.815 . . . . 0.77000000000000002 110.157 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.501 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 73.5 mtm -70.91 -31.0 67.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.015 -0.539 . . . . 1.6599999999999999 110.238 178.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -61.37 -57.59 11.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.444 -0.344 . . . . 1.3799999999999999 110.949 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -74.11 -38.87 63.69 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.535 -0.302 . . . . 1.0900000000000001 111.155 -174.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.7 t -71.41 -31.19 66.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.556 0.217 . . . . 1.46 111.2 -175.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.501 ' HB2' ' O ' ' A' ' 12' ' ' MET . 86.6 m-70 -97.89 0.98 47.59 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 121.061 -0.255 . . . . 3.77 111.005 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.3 mttp 52.45 53.81 11.69 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.576 0.548 . . . . 3.4100000000000001 112.193 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 61.6 11.03 3.62 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.958 -0.565 . . . . 3.5499999999999998 111.727 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.413 HG23 ' CZ2' ' A' ' 21' ' ' TRP . 85.6 t 61.04 72.69 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-O 121.975 0.893 . . . . 3.5099999999999998 109.766 -174.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.3 tp -86.99 -15.67 9.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 114.666 -1.152 . . . . 5.4500000000000002 109.507 176.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.413 ' CZ2' HG23 ' A' ' 19' ' ' VAL . 2.3 p-90 -81.65 53.85 2.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.069 -0.969 . . . . 5.2699999999999996 111.249 -178.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 t -85.77 14.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.732 0.777 . . . . 6.4800000000000004 109.83 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.4 ' H ' ' C ' ' A' ' 21' ' ' TRP . 14.3 m120 69.32 15.72 8.45 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.003 -1.453 . . . . 9.0099999999999998 110.193 -179.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.413 ' C ' ' HD2' ' A' ' 24' ' ' ARG . 7.8 ppt_? -160.73 155.32 23.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.633 -1.167 . . . . 12.09 108.144 175.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.4 t30 . . . . . 0 C--O 1.246 0.884 0 CA-C-O 118.458 -0.782 . . . . 12.619999999999999 109.656 179.442 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.1 p . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 120.996 0.427 . . . . 2.8999999999999999 110.247 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.7 m -87.88 104.66 16.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.059 0.457 . . . . 2.0 110.972 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.465 ' SG ' ' HE1' ' A' ' 14' ' ' PHE . 84.0 m -95.18 97.42 9.88 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.525 -0.546 . . . . 0.97999999999999998 109.525 176.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.3 m -116.86 123.87 48.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.063 -0.517 . . . . 2.4300000000000002 109.756 -175.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 37.0 t70 64.65 18.07 11.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 122.234 1.016 . . . . 2.8199999999999998 109.725 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 16.3 ttp -114.15 130.71 56.59 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.83 -1.077 . . . . 1.6000000000000001 110.201 -176.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.6 m -87.51 106.78 18.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.972 -0.558 . . . . 1.8300000000000001 111.629 -171.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.516 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 13.3 m-20 26.87 -77.01 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 126.207 1.803 . . . . 1.9399999999999999 115.103 169.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.5 tp -55.24 -45.29 76.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.229 -0.441 . . . . 2.0600000000000001 110.773 -176.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -66.47 -31.73 72.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.13 0.491 . . . . 2.6499999999999999 110.166 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.516 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 42.2 t -61.95 -44.12 97.42 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.649 -0.705 . . . . 0.77000000000000002 109.582 174.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.494 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 70.4 mtm -68.43 -38.5 81.24 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.109 -0.496 . . . . 1.6599999999999999 110.494 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -57.62 -38.36 74.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.905 0.384 . . . . 1.3799999999999999 111.188 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.465 ' HE1' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -91.6 -26.61 18.63 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.054 0.39 . . . . 1.0900000000000001 112.054 -174.737 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.0 t -94.41 -26.3 16.57 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.66 -0.416 . . . . 1.46 111.437 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.494 ' HB2' ' O ' ' A' ' 12' ' ' MET . 10.5 m170 -84.37 14.38 4.49 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 122.085 -0.384 . . . . 3.77 111.71 -177.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 14' ' ' PHE . 18.9 pttp -94.74 4.71 53.5 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 121.692 0.758 . . . . 3.4100000000000001 110.04 175.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -119.16 21.35 12.33 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 114.797 -1.092 . . . . 3.5499999999999998 109.876 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.8 m -67.04 121.74 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 121.35 0.595 . . . . 3.5099999999999998 110.597 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.1 tp -76.66 -19.07 14.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.55 0.69 . . . . 5.4500000000000002 110.291 -177.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 14.7 p-90 -93.03 34.45 1.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.272 -0.877 . . . . 5.2699999999999996 110.451 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.6 p -65.49 99.47 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.157 -0.929 . . . . 6.4800000000000004 111.116 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -149.33 -77.23 0.15 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.08 -0.963 . . . . 9.0099999999999998 108.946 175.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -175.91 100.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.464 -0.789 . . . . 12.09 109.188 175.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.528 -0.748 . . . . 12.619999999999999 110.407 -177.204 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 49.8 t . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.79 -0.448 . . . . 2.8999999999999999 109.79 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.6 m -108.75 137.79 46.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.982 -0.554 . . . . 2.0 110.604 -178.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.3 m -98.89 109.75 22.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.284 -0.416 . . . . 0.97999999999999998 110.162 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.6 m -124.43 124.55 42.58 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.823 -0.436 . . . . 2.4300000000000002 109.823 177.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 64.15 18.46 11.27 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.605 0.566 . . . . 2.8199999999999998 110.476 -175.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.4 tpp -120.64 146.29 46.54 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.679 -0.691 . . . . 1.6000000000000001 110.649 -177.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -84.81 -179.46 7.1 Favored 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 107.989 -1.115 . . . . 1.8300000000000001 107.989 172.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -69.78 -42.11 74.22 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 116.122 -0.49 . . . . 1.9399999999999999 110.557 -173.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.7 tp -72.85 -44.09 61.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.408 -0.36 . . . . 2.0600000000000001 110.17 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 8.1 tp10 -62.42 -36.8 83.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.041 -0.527 . . . . 2.6499999999999999 110.544 -178.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.576 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 37.7 t -63.93 -41.05 97.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.032 -0.531 . . . . 0.77000000000000002 109.949 177.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.5 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 76.1 mtm -69.77 -26.01 64.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.316 -0.402 . . . . 1.6599999999999999 110.584 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' A' ' 10' ' ' GLU . 94.1 m-20 -62.03 -63.22 1.32 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.705 0.288 . . . . 1.3799999999999999 110.648 176.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.576 ' CE1' ' HA ' ' A' ' 11' ' ' CYS . 7.8 p90 -69.36 -27.07 65.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.798 0.332 . . . . 1.0900000000000001 111.13 -175.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 t -85.97 -34.57 20.81 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.948 0.351 . . . . 1.46 111.948 -175.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.5 ' HB2' ' O ' ' A' ' 12' ' ' MET . 67.2 m170 -101.59 6.04 41.94 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.001 0.371 . . . . 3.77 112.001 -174.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -82.3 -4.55 57.41 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 122.002 0.906 . . . . 3.4100000000000001 109.806 173.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -135.69 79.76 1.79 Allowed 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 113.847 -1.524 . . . . 3.5499999999999998 107.744 175.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.458 ' O ' HG22 ' A' ' 19' ' ' VAL . 18.9 m -65.15 106.99 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 122.268 1.032 . . . . 3.5099999999999998 111.485 -172.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.5 tp -76.07 -16.95 15.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.882 -1.054 . . . . 5.4500000000000002 109.288 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 46.9 p-90 -85.55 22.03 1.67 Allowed 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 115.342 -0.845 . . . . 5.2699999999999996 111.596 -177.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.93 -16.39 19.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-O 122.362 1.077 . . . . 6.4800000000000004 109.736 177.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.469 HD21 ' C ' ' A' ' 23' ' ' ASN . 0.4 OUTLIER -95.5 10.6 35.97 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 113.738 -1.574 . . . . 9.0099999999999998 109.957 176.807 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 58.4 48.38 12.36 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 114.846 -1.07 . . . . 12.09 111.331 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.1 t30 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.38 -0.819 . . . . 12.619999999999999 109.388 178.828 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 122.039 0.923 . . . . 2.23 110.06 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -92.31 25.07 3.09 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.416 -1.266 . . . . 2.82 107.708 168.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 46.9 ttm -148.47 148.87 30.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 113.973 -1.467 . . . . 1.06 109.849 -167.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.2 p -79.55 -173.13 3.6 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 121.541 0.686 . . . . 1.67 110.707 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 12' ' ' MET . 10.3 p-10 -78.47 -47.28 17.75 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.117 -0.947 . . . . 1.94 110.468 -178.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.81 -46.25 85.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 1.55 110.191 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -63.65 -36.11 82.76 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.896 -0.593 . . . . 2.65 110.608 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.4 t -65.23 -47.42 76.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.77 110.1 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.611 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 69.3 mtm -60.72 -32.16 71.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.387 -0.369 . . . . 1.28 110.484 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -60.51 -65.23 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.468 -0.333 . . . . 1.35 111.471 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -75.52 -26.84 58.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.702 0.286 . . . . 1.07 111.641 -171.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 t -95.25 -20.85 18.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.742 0.275 . . . . 1.46 111.742 -171.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.611 ' HB2' ' O ' ' A' ' 12' ' ' MET . 12.1 m170 . . . . . 0 C--N 1.325 -0.47 0 CA-C-O 120.679 0.276 . . . . 3.13 111.109 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.235 0.291 0 CA-C-O 120.613 0.244 . . . . 2.23 110.893 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.8 t70 48.19 52.24 13.61 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 122.066 0.936 . . . . 2.82 109.709 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.425 ' SD ' ' HA ' ' A' ' 11' ' ' CYS . 47.2 ttm -122.53 148.84 44.7 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.787 -1.097 . . . . 1.06 110.456 -172.268 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.453 ' HB2' ' HB2' ' A' ' 10' ' ' GLU . 6.1 m -61.73 133.26 55.34 Favored 'General case' 0 N--CA 1.434 -1.241 0 N-CA-C 108.977 -0.749 . . . . 1.67 108.977 176.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -55.91 -38.85 70.78 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 115.146 -0.934 . . . . 1.94 111.443 -175.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.1 tp -71.7 -38.88 70.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.029 0.442 . . . . 1.55 110.093 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.453 ' HB2' ' HB2' ' A' ' 7' ' ' SER . 32.5 tt0 -61.47 -40.35 94.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.687 -0.688 . . . . 2.65 109.851 177.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.474 ' HA ' ' HD1' ' A' ' 14' ' ' PHE . 36.5 t -63.06 -45.2 93.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.093 -0.958 . . . . 0.77 110.841 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.518 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 75.9 mtm -67.22 -23.82 65.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.341 -0.39 . . . . 1.28 110.693 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -76.52 -55.59 5.39 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.969 -0.293 . . . . 1.35 111.172 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.474 ' HD1' ' HA ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -70.54 -33.25 70.95 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.607 0.225 . . . . 1.07 111.607 -173.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.6 t -80.92 -43.97 19.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.761 0.315 . . . . 1.46 111.613 -176.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.518 ' HB2' ' O ' ' A' ' 12' ' ' MET . 18.2 m170 . . . . . 0 C--N 1.326 -0.423 0 N-CA-C 111.99 0.367 . . . . 3.13 111.99 -172.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.652 0.263 . . . . 2.23 110.464 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 63.36 21.21 12.68 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.435 0.636 . . . . 2.82 110.315 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.448 ' SD ' ' HA ' ' A' ' 11' ' ' CYS . 40.2 ttm -91.85 133.75 35.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.105 -0.952 . . . . 1.06 109.417 -177.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 9' ' ' LEU . 7.8 m -71.71 83.11 0.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.352 0.501 . . . . 1.67 112.352 -172.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 22.7 t70 30.73 -76.76 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.177 1.791 . . . . 1.94 114.94 175.511 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 7' ' ' SER . 58.7 tp -54.84 -37.81 66.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.993 0.425 . . . . 1.55 110.305 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.86 -33.73 70.79 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 115.436 -0.802 . . . . 2.65 111.259 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.448 ' HA ' ' SD ' ' A' ' 6' ' ' MET . 52.8 t -60.32 -46.7 88.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.381 0.61 . . . . 0.77 110.074 178.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.415 ' HE3' HD12 ' A' ' 9' ' ' LEU . 73.8 mtm -73.92 -34.02 64.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.514 -0.766 . . . . 1.28 110.298 -179.1 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -60.44 -56.34 22.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.857 -0.61 . . . . 1.35 110.991 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -39.24 78.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 1.07 110.906 -175.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -69.81 -49.16 55.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.969 0.414 . . . . 1.46 111.394 -175.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 . . . . . 0 C--N 1.324 -0.504 0 N-CA-C 112.069 0.396 . . . . 3.13 112.069 -174.561 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.619 0.247 . . . . 2.23 110.519 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.3 t70 56.91 31.25 19.4 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.877 0.846 . . . . 2.82 110.131 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 23.5 tpp -105.64 159.49 15.93 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.207 -0.906 . . . . 1.06 110.291 -175.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.527 ' HB2' ' HB3' ' A' ' 10' ' ' GLU . 6.0 m -81.36 -166.22 1.12 Allowed 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 109.301 -0.629 . . . . 1.67 109.301 177.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -82.92 -69.07 0.65 Allowed 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 120.77 0.319 . . . . 1.94 111.008 -177.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.406 HD12 ' HE3' ' A' ' 12' ' ' MET . 50.0 tp -61.52 -39.49 91.21 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.626 -0.509 . . . . 1.55 109.626 178.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 7' ' ' SER . 44.1 tt0 -55.56 -40.0 71.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.182 -0.917 . . . . 2.65 111.033 176.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.518 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 49.7 t -66.91 -40.27 87.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.189 0.519 . . . . 0.77 110.277 179.301 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.487 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 75.5 mtm -71.69 -24.28 61.8 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.167 -0.47 . . . . 1.28 110.352 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -66.28 -56.19 12.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.709 -0.223 . . . . 1.35 111.244 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CE1' ' HA ' ' A' ' 11' ' ' CYS . 8.7 p90 -74.29 -27.47 60.74 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 120.783 -0.367 . . . . 1.07 110.941 -174.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.3 t -83.42 -45.32 13.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.296 0.48 . . . . 1.46 112.296 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.487 ' HB2' ' O ' ' A' ' 12' ' ' MET . 18.5 m170 . . . . . 0 N--CA 1.464 0.273 0 N-CA-C 111.904 0.335 . . . . 3.13 111.904 -172.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.461 0.172 . . . . 2.23 110.594 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 59.36 42.11 18.6 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.421 0.629 . . . . 2.82 109.704 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.513 ' HG3' ' CB ' ' A' ' 10' ' ' GLU . 24.1 ttp -152.01 144.51 24.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.16 -0.927 . . . . 1.06 110.327 -169.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.1 p -89.48 -171.38 3.2 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.071 0.462 . . . . 1.67 110.714 -174.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -67.44 -54.6 18.91 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.353 -0.839 . . . . 1.94 111.48 -174.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.77 -46.91 87.71 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 120.824 0.345 . . . . 1.55 110.082 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.513 ' CB ' ' HG3' ' A' ' 6' ' ' MET . 50.9 mt-10 -57.67 -43.93 85.39 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.663 -0.699 . . . . 2.65 111.161 178.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.1 t -65.93 -41.75 90.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.708 -0.678 . . . . 0.77 110.701 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.554 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 72.9 mtm -66.64 -35.98 81.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.185 -0.462 . . . . 1.28 110.065 177.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -60.05 -63.97 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.582 -0.281 . . . . 1.35 110.933 177.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.22 -29.35 70.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.609 0.243 . . . . 1.07 111.581 -172.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.7 t -87.26 -28.76 22.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.826 0.346 . . . . 1.46 111.335 -175.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.554 ' HB2' ' O ' ' A' ' 12' ' ' MET . 7.5 m170 . . . . . 0 C--N 1.327 -0.371 0 O-C-N 122.065 -0.397 . . . . 3.13 112.065 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.45 -0.43 0 CA-C-O 120.469 0.176 . . . . 2.23 110.555 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.1 t70 64.84 18.91 11.68 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 122.18 0.99 . . . . 2.82 109.468 -178.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.535 ' HG3' ' HB3' ' A' ' 10' ' ' GLU . 14.2 tpp -95.79 120.14 35.53 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.861 -1.063 . . . . 1.06 110.19 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -72.88 90.24 1.44 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.418 -0.355 . . . . 1.67 111.222 -177.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.4 t70 32.65 -80.35 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.928 1.691 . . . . 1.94 114.369 174.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.0 tp -56.72 -36.51 69.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.952 -0.567 . . . . 1.55 111.011 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.535 ' HB3' ' HG3' ' A' ' 6' ' ' MET . 8.0 tp10 -67.29 -29.61 69.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.111 0.481 . . . . 2.65 110.283 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.556 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 33.8 t -69.89 -35.27 74.51 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.235 -0.654 . . . . 0.77 109.235 176.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.583 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 70.6 mtp -66.37 -32.16 73.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.339 -0.846 . . . . 1.28 109.69 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -68.87 -61.06 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.044 -0.525 . . . . 1.35 111.26 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.556 ' CD1' ' HA ' ' A' ' 11' ' ' CYS . 3.5 p90 -70.01 -24.99 63.38 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.943 0.349 . . . . 1.07 111.943 -171.26 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.9 t -96.74 -33.64 11.63 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.146 0.425 . . . . 1.46 112.146 -175.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.583 ' HB2' ' O ' ' A' ' 12' ' ' MET . 45.3 m80 . . . . . 0 N--CA 1.465 0.311 0 CA-C-O 120.773 0.32 . . . . 3.13 111.348 -174.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.481 ' C ' ' H ' ' A' ' 6' ' ' MET . 7.2 m . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 109.304 -0.628 . . . . 2.23 109.304 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.2 t70 74.27 -28.82 0.19 Allowed 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.953 0.783 . . . . 2.82 110.808 -175.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.481 ' H ' ' C ' ' A' ' 4' ' ' THR . 32.1 tpp -57.08 123.1 14.04 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.578 -0.737 . . . . 1.06 110.043 176.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.3 m -93.56 104.42 16.55 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.133 0.42 . . . . 1.67 112.133 -170.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 39.12 -82.94 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.68 1.592 . . . . 1.94 114.104 171.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.9 tp -56.69 -46.74 81.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.216 -0.902 . . . . 1.55 110.96 -175.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.43 -29.75 70.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.103 -0.499 . . . . 2.65 110.377 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.598 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 51.6 t -65.13 -48.33 73.95 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.77 109.949 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 71.2 mtm -59.1 -34.3 71.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.576 -0.284 . . . . 1.28 110.797 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -59.71 -59.39 5.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.597 -0.274 . . . . 1.35 111.291 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.598 ' CE1' ' HA ' ' A' ' 11' ' ' CYS . 5.2 p90 -75.53 -13.29 60.35 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.104 0.478 . . . . 1.07 110.645 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -83.83 -48.72 9.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.3 -0.409 . . . . 1.46 111.397 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 . . . . . 0 N--CA 1.457 -0.125 0 C-N-CA 120.953 -0.299 . . . . 3.13 110.714 -174.186 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.449 -0.499 0 CA-C-O 120.724 0.297 . . . . 2.23 110.425 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 62.06 26.39 15.89 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.565 -0.743 . . . . 2.82 110.53 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.449 ' HG2' ' HB3' ' A' ' 10' ' ' GLU . 41.3 ttm -108.55 147.68 31.41 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.835 -0.62 . . . . 1.06 109.835 -178.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.8 m -90.32 104.57 17.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.883 -0.144 . . . . 1.67 110.811 -176.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 21.21 -78.22 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.107 1.763 . . . . 1.94 115.174 171.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.4 tp -57.06 -42.84 81.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.777 -0.647 . . . . 1.55 111.215 -174.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.449 ' HB3' ' HG2' ' A' ' 6' ' ' MET . 5.0 tp10 -63.26 -34.85 78.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.386 0.612 . . . . 2.65 110.126 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.412 ' HA ' ' SD ' ' A' ' 6' ' ' MET . 48.7 t -65.18 -40.09 93.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.407 -0.815 . . . . 0.77 110.157 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.481 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 73.5 mtm -70.91 -31.0 67.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.015 -0.539 . . . . 1.28 110.238 178.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -61.37 -57.59 11.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.444 -0.344 . . . . 1.35 110.949 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -74.11 -38.87 63.69 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.535 -0.302 . . . . 1.07 111.155 -174.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.7 t -71.41 -31.19 66.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.556 0.217 . . . . 1.46 111.2 -175.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.481 ' HB2' ' O ' ' A' ' 12' ' ' MET . 86.6 m-70 . . . . . 0 C--N 1.327 -0.406 0 C-N-CA 121.061 -0.255 . . . . 3.13 111.005 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.756 -0.461 . . . . 2.23 109.756 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 37.0 t70 64.65 18.07 11.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 122.234 1.016 . . . . 2.82 109.725 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 16.3 ttp -114.15 130.71 56.59 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.83 -1.077 . . . . 1.06 110.201 -176.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.6 m -87.51 106.78 18.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.972 -0.558 . . . . 1.67 111.629 -171.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.531 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 13.3 m-20 26.87 -77.01 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 126.207 1.803 . . . . 1.94 115.103 169.207 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.5 tp -55.24 -45.29 76.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.229 -0.441 . . . . 1.55 110.773 -176.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -66.47 -31.73 72.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.13 0.491 . . . . 2.65 110.166 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 42.2 t -61.95 -44.12 97.42 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.649 -0.705 . . . . 0.77 109.582 174.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.482 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 70.4 mtm -68.43 -38.5 81.24 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.109 -0.496 . . . . 1.28 110.494 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -57.62 -38.36 74.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.905 0.384 . . . . 1.35 111.188 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -91.6 -26.61 18.63 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.054 0.39 . . . . 1.07 112.054 -174.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.0 t -94.41 -26.3 16.57 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.66 -0.416 . . . . 1.46 111.437 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.482 ' HB2' ' O ' ' A' ' 12' ' ' MET . 10.5 m170 . . . . . 0 N--CA 1.465 0.293 0 O-C-N 122.085 -0.384 . . . . 3.13 111.71 -177.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 109.823 -0.436 . . . . 2.23 109.823 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 64.15 18.46 11.27 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.605 0.566 . . . . 2.82 110.476 -175.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.4 tpp -120.64 146.29 46.54 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.679 -0.691 . . . . 1.06 110.649 -177.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -84.81 -179.46 7.1 Favored 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 107.989 -1.115 . . . . 1.67 107.989 172.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -69.78 -42.11 74.22 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 116.122 -0.49 . . . . 1.94 110.557 -173.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.7 tp -72.85 -44.09 61.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.408 -0.36 . . . . 1.55 110.17 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.417 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 8.1 tp10 -62.42 -36.8 83.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.041 -0.527 . . . . 2.65 110.544 -178.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.586 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 37.7 t -63.93 -41.05 97.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.032 -0.531 . . . . 0.77 109.949 177.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.494 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 76.1 mtm -69.77 -26.01 64.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.316 -0.402 . . . . 1.28 110.584 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' A' ' 10' ' ' GLU . 94.1 m-20 -62.03 -63.22 1.32 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.705 0.288 . . . . 1.35 110.648 176.346 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.586 ' CE1' ' HA ' ' A' ' 11' ' ' CYS . 7.8 p90 -69.36 -27.07 65.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.798 0.332 . . . . 1.07 111.13 -175.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 t -85.97 -34.57 20.81 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.948 0.351 . . . . 1.46 111.948 -175.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.494 ' HB2' ' O ' ' A' ' 12' ' ' MET . 67.2 m170 . . . . . 0 N--CA 1.464 0.273 0 N-CA-C 112.001 0.371 . . . . 3.13 112.001 -174.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 52.5 t . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.793 0.33 . . . . 2.47 110.404 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 m -126.82 110.47 13.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.563 -0.29 . . . . 1.6 111.15 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.4 p -124.71 93.27 3.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.397 0.618 . . . . 0.95 110.654 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.5 t -132.25 -26.79 1.86 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.039 0.923 . . . . 2.23 110.06 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -92.31 25.07 3.09 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.416 -1.266 . . . . 2.82 107.708 168.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 46.9 ttm -148.47 148.87 30.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 113.973 -1.467 . . . . 1.06 109.849 -167.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.2 p -79.55 -173.13 3.6 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 121.541 0.686 . . . . 1.67 110.707 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 12' ' ' MET . 10.3 p-10 -78.47 -47.28 17.75 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.117 -0.947 . . . . 1.94 110.468 -178.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.81 -46.25 85.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 1.55 110.191 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -63.65 -36.11 82.76 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.896 -0.593 . . . . 2.65 110.608 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.4 t -65.23 -47.42 76.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.77 110.1 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.611 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 69.3 mtm -60.72 -32.16 71.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.387 -0.369 . . . . 1.28 110.484 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -60.51 -65.23 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.468 -0.333 . . . . 1.35 111.471 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -75.52 -26.84 58.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.702 0.286 . . . . 1.07 111.641 -171.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 t -95.25 -20.85 18.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.742 0.275 . . . . 1.46 111.742 -171.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.611 ' HB2' ' O ' ' A' ' 12' ' ' MET . 12.1 m170 -116.39 22.7 12.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.679 0.276 . . . . 3.13 111.109 -178.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -92.36 11.54 25.66 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.33 0.586 . . . . 2.79 111.033 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -135.39 17.52 3.39 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.461 -0.791 . . . . 3.55 110.483 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.461 HG23 HG13 ' A' ' 22' ' ' VAL . 7.0 m -68.2 137.9 23.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.112 -0.495 . . . . 2.79 109.887 177.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.404 ' HA ' HD12 ' A' ' 20' ' ' ILE . 2.9 tp -94.91 -15.34 7.73 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.939 -0.573 . . . . 5.04 111.14 -173.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 40.7 p-90 -82.42 21.9 0.9 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.131 0.491 . . . . 5.23 112.213 -174.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.461 HG13 HG23 ' A' ' 19' ' ' VAL . 21.1 m -89.57 18.51 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.868 -0.606 . . . . 6.48 111.234 -179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -148.44 -55.98 0.21 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.092 -0.958 . . . . 8.46 109.568 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -115.93 133.76 55.69 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.258 -0.883 . . . . 11.42 110.567 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.9 t30 . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.339 -0.839 . . . . 12.1 109.35 172.724 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 86.1 m . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 120.798 0.333 . . . . 2.47 110.468 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 m -94.08 106.07 18.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.4 -0.364 . . . . 1.6 110.196 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 6' ' ' MET . 0.8 OUTLIER -97.9 87.04 3.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.875 -0.416 . . . . 0.95 109.875 -178.533 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.1 m -70.76 95.72 1.16 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.412 -0.358 . . . . 2.23 110.893 -178.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.8 t70 48.19 52.24 13.61 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 122.066 0.936 . . . . 2.82 109.709 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.425 ' SD ' ' HA ' ' A' ' 11' ' ' CYS . 47.2 ttm -122.53 148.84 44.7 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.787 -1.097 . . . . 1.06 110.456 -172.268 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.453 ' HB2' ' HB2' ' A' ' 10' ' ' GLU . 6.1 m -61.73 133.26 55.34 Favored 'General case' 0 N--CA 1.434 -1.241 0 N-CA-C 108.977 -0.749 . . . . 1.67 108.977 176.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -55.91 -38.85 70.78 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 115.146 -0.934 . . . . 1.94 111.443 -175.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.1 tp -71.7 -38.88 70.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.029 0.442 . . . . 1.55 110.093 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.453 ' HB2' ' HB2' ' A' ' 7' ' ' SER . 32.5 tt0 -61.47 -40.35 94.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.687 -0.688 . . . . 2.65 109.851 177.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.474 ' HA ' ' HD1' ' A' ' 14' ' ' PHE . 36.5 t -63.06 -45.2 93.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.093 -0.958 . . . . 0.77 110.841 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.518 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 75.9 mtm -67.22 -23.82 65.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.341 -0.39 . . . . 1.28 110.693 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -76.52 -55.59 5.39 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.969 -0.293 . . . . 1.35 111.172 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.798 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -70.54 -33.25 70.95 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.607 0.225 . . . . 1.07 111.607 -173.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.6 t -80.92 -43.97 19.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.761 0.315 . . . . 1.46 111.613 -176.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.518 ' HB2' ' O ' ' A' ' 12' ' ' MET . 18.2 m170 -75.41 -13.68 60.41 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.99 0.367 . . . . 3.13 111.99 -172.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.798 ' HE3' ' HA ' ' A' ' 14' ' ' PHE . 22.8 pttp -87.46 -1.68 58.09 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 120.939 0.4 . . . . 2.79 111.694 -177.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.405 ' OD2' ' HG3' ' A' ' 17' ' ' LYS . 32.1 m-20 -136.68 14.72 3.15 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.94 -0.573 . . . . 3.55 111.348 -177.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.53 HG23 ' HB ' ' A' ' 22' ' ' VAL . 8.1 m -66.55 120.92 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.397 0.618 . . . . 2.79 110.461 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 20' ' ' ILE . 3.1 tp -85.5 -9.83 11.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.505 -0.771 . . . . 5.04 109.883 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 -102.69 26.53 7.88 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 115.015 -0.993 . . . . 5.23 110.499 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.53 ' HB ' HG23 ' A' ' 19' ' ' VAL . 3.7 p -65.07 108.53 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 CA-C-N 115.055 -0.975 . . . . 6.48 110.345 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' ' 22' ' ' VAL . 28.1 m120 97.45 158.95 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.048 1.339 . . . . 8.46 111.573 175.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 72.06 -70.32 0.16 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 114.649 -1.159 . . . . 11.42 112.406 175.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.2 t30 . . . . . 0 C--O 1.248 1.026 0 O-C-N 124.021 0.825 . . . . 12.1 109.517 -169.163 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 81.0 m . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 121.005 0.431 . . . . 2.47 110.339 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.6 m -91.69 107.86 19.5 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.796 -0.638 . . . . 1.6 110.256 178.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.422 ' SG ' ' HE1' ' A' ' 14' ' ' PHE . 29.9 m -102.59 86.59 2.81 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.716 -0.675 . . . . 0.95 110.127 -177.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.5 m -97.36 113.31 24.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.606 -0.725 . . . . 2.23 110.464 -174.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 63.36 21.21 12.68 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.435 0.636 . . . . 2.82 110.315 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.448 ' SD ' ' HA ' ' A' ' 11' ' ' CYS . 40.2 ttm -91.85 133.75 35.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.105 -0.952 . . . . 1.06 109.417 -177.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 9' ' ' LEU . 7.8 m -71.71 83.11 0.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.352 0.501 . . . . 1.67 112.352 -172.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 22.7 t70 30.73 -76.76 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.177 1.791 . . . . 1.94 114.94 175.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.572 HD21 HG23 ' A' ' 22' ' ' VAL . 58.7 tp -54.84 -37.81 66.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.993 0.425 . . . . 1.55 110.305 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.86 -33.73 70.79 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 115.436 -0.802 . . . . 2.65 111.259 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' HA ' ' SD ' ' A' ' 6' ' ' MET . 52.8 t -60.32 -46.7 88.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.381 0.61 . . . . 0.77 110.074 178.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.415 ' HE3' HD12 ' A' ' 9' ' ' LEU . 73.8 mtm -73.92 -34.02 64.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.514 -0.766 . . . . 1.28 110.298 -179.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -60.44 -56.34 22.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.857 -0.61 . . . . 1.35 110.991 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.422 ' HE1' ' SG ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -69.34 -39.24 78.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 1.07 110.906 -175.564 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -69.81 -49.16 55.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.969 0.414 . . . . 1.46 111.394 -175.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -97.24 -52.67 3.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.069 0.396 . . . . 3.13 112.069 -174.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm 64.68 24.96 13.01 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.52 0.676 . . . . 2.79 110.425 -171.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -105.31 5.82 32.24 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-N 115.28 -0.873 . . . . 3.55 109.812 175.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.437 HG12 ' HB ' ' A' ' 22' ' ' VAL . 43.7 t -76.84 94.79 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 CA-C-N 114.993 -1.003 . . . . 2.79 110.657 -175.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tp -91.02 -22.11 6.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 115.153 -0.931 . . . . 5.04 108.882 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 7.3 p-90 -83.5 29.11 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.39 -1.277 . . . . 5.23 111.108 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.572 HG23 HD21 ' A' ' 9' ' ' LEU . 12.5 p -105.35 9.18 9.5 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 CA-C-N 114.534 -1.212 . . . . 6.48 108.089 174.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -78.45 101.0 7.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 113.843 -1.526 . . . . 8.46 110.577 -177.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -112.63 -8.96 13.78 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.693 -0.685 . . . . 11.42 110.229 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.321 -0.847 . . . . 12.1 109.82 177.068 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 66.1 m . . . . . 0 N--CA 1.475 0.825 0 CA-C-O 120.902 0.382 . . . . 2.47 110.534 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 t -99.45 109.25 21.84 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.3 -0.63 . . . . 1.6 109.3 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.611 ' HB3' ' HB3' ' A' ' 6' ' ' MET . 3.9 m -85.92 98.27 10.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.232 -0.44 . . . . 0.95 110.798 -176.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.5 m -86.37 98.94 11.27 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.445 -0.343 . . . . 2.23 110.519 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.3 t70 56.91 31.25 19.4 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.877 0.846 . . . . 2.82 110.131 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.611 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 23.5 tpp -105.64 159.49 15.93 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.207 -0.906 . . . . 1.06 110.291 -175.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.527 ' HB2' ' HB3' ' A' ' 10' ' ' GLU . 6.0 m -81.36 -166.22 1.12 Allowed 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 109.301 -0.629 . . . . 1.67 109.301 177.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -82.92 -69.07 0.65 Allowed 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 120.77 0.319 . . . . 1.94 111.008 -177.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.406 HD12 ' HE3' ' A' ' 12' ' ' MET . 50.0 tp -61.52 -39.49 91.21 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.626 -0.509 . . . . 1.55 109.626 178.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 7' ' ' SER . 44.1 tt0 -55.56 -40.0 71.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.182 -0.917 . . . . 2.65 111.033 176.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.518 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 49.7 t -66.91 -40.27 87.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.189 0.519 . . . . 0.77 110.277 179.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.487 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 75.5 mtm -71.69 -24.28 61.8 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.167 -0.47 . . . . 1.28 110.352 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -66.28 -56.19 12.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.709 -0.223 . . . . 1.35 111.244 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CE1' ' HA ' ' A' ' 11' ' ' CYS . 8.7 p90 -74.29 -27.47 60.74 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 120.783 -0.367 . . . . 1.07 110.941 -174.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.3 t -83.42 -45.32 13.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.296 0.48 . . . . 1.46 112.296 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.487 ' HB2' ' O ' ' A' ' 12' ' ' MET . 18.5 m170 -82.97 2.4 34.94 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.904 0.335 . . . . 3.13 111.904 -172.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -88.69 -2.46 58.6 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.412 0.625 . . . . 2.79 110.251 175.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -129.26 32.91 4.62 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 114.997 -1.002 . . . . 3.55 110.613 -177.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.44 ' O ' HG23 ' A' ' 22' ' ' VAL . 31.1 m -58.75 127.8 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.309 0.576 . . . . 2.79 110.127 176.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.6 tp -83.71 -1.57 6.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.971 -0.559 . . . . 5.04 111.485 -172.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 5.5 p-90 -108.56 39.17 2.05 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.42 0.526 . . . . 5.23 112.42 -177.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 19' ' ' VAL . 62.1 t -74.54 104.4 3.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.423 -0.353 . . . . 6.48 110.723 177.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.8 t30 72.51 118.86 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.942 0.777 . . . . 8.46 111.023 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -105.16 -22.92 13.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.946 -0.57 . . . . 11.42 110.476 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.9 t30 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.48 -0.771 . . . . 12.1 110.11 179.845 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.5 m . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.147 -0.316 . . . . 2.47 110.147 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -78.02 101.83 7.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.099 0.476 . . . . 1.6 110.508 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 m -92.44 97.17 10.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.097 -0.501 . . . . 0.95 110.094 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.1 m -95.45 112.77 24.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.397 -0.365 . . . . 2.23 110.594 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 59.36 42.11 18.6 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.421 0.629 . . . . 2.82 109.704 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.513 ' HG3' ' CB ' ' A' ' 10' ' ' GLU . 24.1 ttp -152.01 144.51 24.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.16 -0.927 . . . . 1.06 110.327 -169.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.1 p -89.48 -171.38 3.2 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.071 0.462 . . . . 1.67 110.714 -174.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -67.44 -54.6 18.91 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.353 -0.839 . . . . 1.94 111.48 -174.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.77 -46.91 87.71 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 120.824 0.345 . . . . 1.55 110.082 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.513 ' CB ' ' HG3' ' A' ' 6' ' ' MET . 50.9 mt-10 -57.67 -43.93 85.39 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.663 -0.699 . . . . 2.65 111.161 178.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.1 t -65.93 -41.75 90.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.708 -0.678 . . . . 0.77 110.701 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.554 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 72.9 mtm -66.64 -35.98 81.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.185 -0.462 . . . . 1.28 110.065 177.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.407 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 95.7 m-20 -60.05 -63.97 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.582 -0.281 . . . . 1.35 110.933 177.167 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.447 ' HA ' ' HD3' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -63.22 -29.35 70.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.609 0.243 . . . . 1.07 111.581 -172.229 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.7 t -87.26 -28.76 22.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.826 0.346 . . . . 1.46 111.335 -175.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.649 ' HA ' ' HE1' ' A' ' 21' ' ' TRP . 7.5 m170 -102.6 -5.2 24.15 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 122.065 -0.397 . . . . 3.13 112.065 -177.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.495 ' HG3' ' OD2' ' A' ' 18' ' ' ASP . 23.1 pttp -70.92 -7.75 48.04 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.512 0.93 . . . . 2.79 113.512 -171.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.495 ' OD2' ' HG3' ' A' ' 17' ' ' LYS . 20.5 m-20 -138.19 -7.51 1.56 Allowed 'General case' 0 C--N 1.308 -1.2 0 C-N-CA 120.779 -0.368 . . . . 3.55 111.457 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' ' 19' ' ' VAL . 59.9 t 52.39 59.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 122.369 1.08 . . . . 2.79 109.856 -171.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.3 tp -71.14 -17.29 19.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 114.911 -1.04 . . . . 5.04 109.28 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.649 ' HE1' ' HA ' ' A' ' 16' ' ' HIS . 14.3 p-90 -88.49 23.35 2.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.705 -1.134 . . . . 5.23 111.125 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.0 p -61.21 96.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.069 -0.969 . . . . 6.48 111.156 -178.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -131.92 103.42 6.3 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.328 -0.851 . . . . 8.46 109.494 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.639 ' HD3' ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -167.61 -35.39 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.01 -0.996 . . . . 11.42 109.442 -173.047 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.639 ' N ' ' HD3' ' A' ' 24' ' ' ARG . 21.8 t-20 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 114.464 -1.244 . . . . 12.1 108.015 175.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 71.9 m . . . . . 0 N--CA 1.475 0.798 0 CA-C-O 120.8 0.333 . . . . 2.47 110.661 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 m -91.4 95.84 10.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.952 0.406 . . . . 1.6 109.926 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 m -83.22 91.38 7.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.311 -0.404 . . . . 0.95 110.181 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.5 m -98.39 103.44 15.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.394 -0.366 . . . . 2.23 110.555 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.1 t70 64.84 18.91 11.68 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 122.18 0.99 . . . . 2.82 109.468 -178.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.535 ' HG3' ' HB3' ' A' ' 10' ' ' GLU . 14.2 tpp -95.79 120.14 35.53 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.861 -1.063 . . . . 1.06 110.19 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -72.88 90.24 1.44 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.418 -0.355 . . . . 1.67 111.222 -177.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.4 t70 32.65 -80.35 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.928 1.691 . . . . 1.94 114.369 174.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.0 tp -56.72 -36.51 69.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.952 -0.567 . . . . 1.55 111.011 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.535 ' HB3' ' HG3' ' A' ' 6' ' ' MET . 8.0 tp10 -67.29 -29.61 69.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.111 0.481 . . . . 2.65 110.283 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.556 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 33.8 t -69.89 -35.27 74.51 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.235 -0.654 . . . . 0.77 109.235 176.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.583 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 70.6 mtp -66.37 -32.16 73.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.339 -0.846 . . . . 1.28 109.69 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -68.87 -61.06 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.044 -0.525 . . . . 1.35 111.26 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.556 ' CD1' ' HA ' ' A' ' 11' ' ' CYS . 3.5 p90 -70.01 -24.99 63.38 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.943 0.349 . . . . 1.07 111.943 -171.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.9 t -96.74 -33.64 11.63 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.146 0.425 . . . . 1.46 112.146 -175.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.583 ' HB2' ' O ' ' A' ' 12' ' ' MET . 45.3 m80 -95.83 12.29 30.66 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.773 0.32 . . . . 3.13 111.348 -174.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.421 ' HE2' ' HB2' ' A' ' 17' ' ' LYS . 8.0 ptmm? -92.96 16.86 11.69 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.359 0.599 . . . . 2.79 110.264 174.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -137.56 43.85 2.27 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.098 -0.956 . . . . 3.55 110.023 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.515 HG23 HG13 ' A' ' 22' ' ' VAL . 30.2 m -63.38 134.17 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.884 -0.598 . . . . 2.79 110.315 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.421 ' HA ' HD12 ' A' ' 20' ' ' ILE . 7.2 tp -88.61 -13.3 9.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.124 0.487 . . . . 5.04 110.918 -174.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 9.1 p-90 -89.74 40.34 0.99 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.002 0.43 . . . . 5.23 111.946 -175.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.515 HG13 HG23 ' A' ' 19' ' ' VAL . 23.5 m -92.53 14.53 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.498 0.666 . . . . 6.48 110.29 176.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -137.58 131.56 31.82 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.131 -0.94 . . . . 8.46 110.504 -176.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 62.77 79.8 0.25 Allowed 'General case' 0 C--O 1.236 0.376 0 O-C-N 124.109 0.881 . . . . 11.42 111.36 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.272 -0.87 . . . . 12.1 109.961 179.089 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 65.2 m . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.846 -0.427 . . . . 2.47 109.846 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -95.03 98.69 10.86 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.954 0.407 . . . . 1.6 110.61 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.506 ' HB3' ' HB3' ' A' ' 6' ' ' MET . 0.0 OUTLIER -93.61 100.73 12.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.275 -0.421 . . . . 0.95 110.244 179.502 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.481 ' C ' ' H ' ' A' ' 6' ' ' MET . 7.2 m -98.7 110.48 23.07 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.304 -0.628 . . . . 2.23 109.304 179.116 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.2 t70 74.27 -28.82 0.19 Allowed 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.953 0.783 . . . . 2.82 110.808 -175.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.506 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 32.1 tpp -57.08 123.1 14.04 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.578 -0.737 . . . . 1.06 110.043 176.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.3 m -93.56 104.42 16.55 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.133 0.42 . . . . 1.67 112.133 -170.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 39.12 -82.94 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.68 1.592 . . . . 1.94 114.104 171.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.9 tp -56.69 -46.74 81.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.216 -0.902 . . . . 1.55 110.96 -175.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.43 -29.75 70.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.103 -0.499 . . . . 2.65 110.377 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.598 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 51.6 t -65.13 -48.33 73.95 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.77 109.949 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 71.2 mtm -59.1 -34.3 71.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.576 -0.284 . . . . 1.28 110.797 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -59.71 -59.39 5.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.597 -0.274 . . . . 1.35 111.291 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.598 ' CE1' ' HA ' ' A' ' 11' ' ' CYS . 5.2 p90 -75.53 -13.29 60.35 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.104 0.478 . . . . 1.07 110.645 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -83.83 -48.72 9.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.3 -0.409 . . . . 1.46 111.397 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -72.83 -26.3 61.44 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 120.953 -0.299 . . . . 3.13 110.714 -174.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 17' ' ' LYS . 4.9 mmmp? 50.23 32.24 5.93 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.883 0.697 . . . . 2.79 112.883 173.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 62.13 10.66 3.85 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 122.912 0.485 . . . . 3.55 111.689 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.508 ' O ' HG12 ' A' ' 19' ' ' VAL . 49.4 t 51.9 48.36 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 122.8 1.285 . . . . 2.79 109.971 -174.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.7 tp -78.99 -12.85 13.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.369 -1.287 . . . . 5.04 108.982 174.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.405 ' CZ2' HG22 ' A' ' 19' ' ' VAL . 5.8 p-90 -84.59 28.01 0.69 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.762 -1.108 . . . . 5.23 111.691 -178.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.0 p -100.96 5.81 10.06 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-O 122.613 1.196 . . . . 6.48 109.227 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -120.28 117.35 27.59 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 114.131 -1.395 . . . . 8.46 109.356 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -161.3 174.1 14.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.281 -0.418 . . . . 11.42 110.072 -176.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--O 1.248 0.992 0 N-CA-C 109.098 -0.704 . . . . 12.1 109.098 178.101 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 120.992 0.425 . . . . 2.47 110.432 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 m -104.48 104.0 13.78 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.098 -0.501 . . . . 1.6 109.942 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 m -91.95 100.55 13.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.096 -0.502 . . . . 0.95 110.683 -175.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.2 m -94.29 100.65 12.66 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.724 0.297 . . . . 2.23 110.425 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 62.06 26.39 15.89 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.565 -0.743 . . . . 2.82 110.53 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.449 ' HG2' ' HB3' ' A' ' 10' ' ' GLU . 41.3 ttm -108.55 147.68 31.41 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.835 -0.62 . . . . 1.06 109.835 -178.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.8 m -90.32 104.57 17.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.883 -0.144 . . . . 1.67 110.811 -176.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 21.21 -78.22 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.107 1.763 . . . . 1.94 115.174 171.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.4 tp -57.06 -42.84 81.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.777 -0.647 . . . . 1.55 111.215 -174.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' HB3' ' HG2' ' A' ' 6' ' ' MET . 5.0 tp10 -63.26 -34.85 78.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.386 0.612 . . . . 2.65 110.126 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.412 ' HA ' ' SD ' ' A' ' 6' ' ' MET . 48.7 t -65.18 -40.09 93.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.407 -0.815 . . . . 0.77 110.157 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.481 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 73.5 mtm -70.91 -31.0 67.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.015 -0.539 . . . . 1.28 110.238 178.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -61.37 -57.59 11.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.444 -0.344 . . . . 1.35 110.949 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -74.11 -38.87 63.69 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.535 -0.302 . . . . 1.07 111.155 -174.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.7 t -71.41 -31.19 66.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.556 0.217 . . . . 1.46 111.2 -175.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.481 ' HB2' ' O ' ' A' ' 12' ' ' MET . 86.6 m-70 -97.89 0.98 47.59 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 121.061 -0.255 . . . . 3.13 111.005 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.3 mttp 52.45 53.81 11.69 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.576 0.548 . . . . 2.79 112.193 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 61.6 11.03 3.62 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.958 -0.565 . . . . 3.55 111.727 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.404 HG22 ' CZ2' ' A' ' 21' ' ' TRP . 85.6 t 61.04 72.69 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-O 121.975 0.893 . . . . 2.79 109.766 -174.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.3 tp -86.99 -15.67 9.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 114.666 -1.152 . . . . 5.04 109.507 176.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.404 ' CZ2' HG22 ' A' ' 19' ' ' VAL . 2.3 p-90 -81.65 53.85 2.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.069 -0.969 . . . . 5.23 111.249 -178.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 t -85.77 14.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.732 0.777 . . . . 6.48 109.83 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 69.32 15.72 8.45 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.003 -1.453 . . . . 8.46 110.193 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.414 ' HD2' ' C ' ' A' ' 24' ' ' ARG . 7.8 ppt_? -160.73 155.32 23.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.633 -1.167 . . . . 11.42 108.144 175.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.4 t30 . . . . . 0 C--O 1.246 0.884 0 CA-C-O 118.458 -0.782 . . . . 12.1 109.656 179.442 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 20.1 p . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 120.996 0.427 . . . . 2.47 110.247 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.7 m -87.88 104.66 16.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.059 0.457 . . . . 1.6 110.972 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.436 ' SG ' ' HE1' ' A' ' 14' ' ' PHE . 84.0 m -95.18 97.42 9.88 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.525 -0.546 . . . . 0.95 109.525 176.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.3 m -116.86 123.87 48.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.063 -0.517 . . . . 2.23 109.756 -175.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 37.0 t70 64.65 18.07 11.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 122.234 1.016 . . . . 2.82 109.725 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 16.3 ttp -114.15 130.71 56.59 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.83 -1.077 . . . . 1.06 110.201 -176.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.6 m -87.51 106.78 18.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.972 -0.558 . . . . 1.67 111.629 -171.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.531 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 13.3 m-20 26.87 -77.01 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 126.207 1.803 . . . . 1.94 115.103 169.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.5 tp -55.24 -45.29 76.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.229 -0.441 . . . . 1.55 110.773 -176.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -66.47 -31.73 72.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.13 0.491 . . . . 2.65 110.166 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 42.2 t -61.95 -44.12 97.42 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.649 -0.705 . . . . 0.77 109.582 174.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.482 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 70.4 mtm -68.43 -38.5 81.24 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.109 -0.496 . . . . 1.28 110.494 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -57.62 -38.36 74.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.905 0.384 . . . . 1.35 111.188 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.454 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -91.6 -26.61 18.63 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.054 0.39 . . . . 1.07 112.054 -174.737 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.0 t -94.41 -26.3 16.57 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.66 -0.416 . . . . 1.46 111.437 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.482 ' HB2' ' O ' ' A' ' 12' ' ' MET . 10.5 m170 -84.37 14.38 4.49 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 122.085 -0.384 . . . . 3.13 111.71 -177.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 14' ' ' PHE . 18.9 pttp -94.74 4.71 53.5 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 121.692 0.758 . . . . 2.79 110.04 175.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -119.16 21.35 12.33 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 114.797 -1.092 . . . . 3.55 109.876 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.8 m -67.04 121.74 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 121.35 0.595 . . . . 2.79 110.597 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.1 tp -76.66 -19.07 14.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.55 0.69 . . . . 5.04 110.291 -177.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 14.7 p-90 -93.03 34.45 1.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.272 -0.877 . . . . 5.23 110.451 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.6 p -65.49 99.47 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.157 -0.929 . . . . 6.48 111.116 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -149.33 -77.23 0.15 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.08 -0.963 . . . . 8.46 108.946 175.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -175.91 100.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.464 -0.789 . . . . 11.42 109.188 175.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.528 -0.748 . . . . 12.1 110.407 -177.204 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 49.8 t . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.79 -0.448 . . . . 2.47 109.79 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.6 m -108.75 137.79 46.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.982 -0.554 . . . . 1.6 110.604 -178.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.3 m -98.89 109.75 22.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.284 -0.416 . . . . 0.95 110.162 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.6 m -124.43 124.55 42.58 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.823 -0.436 . . . . 2.23 109.823 177.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 64.15 18.46 11.27 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.605 0.566 . . . . 2.82 110.476 -175.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.4 tpp -120.64 146.29 46.54 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.679 -0.691 . . . . 1.06 110.649 -177.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -84.81 -179.46 7.1 Favored 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 107.989 -1.115 . . . . 1.67 107.989 172.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -69.78 -42.11 74.22 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 116.122 -0.49 . . . . 1.94 110.557 -173.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.7 tp -72.85 -44.09 61.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.408 -0.36 . . . . 1.55 110.17 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 8.1 tp10 -62.42 -36.8 83.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.041 -0.527 . . . . 2.65 110.544 -178.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.586 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 37.7 t -63.93 -41.05 97.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.032 -0.531 . . . . 0.77 109.949 177.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.494 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 76.1 mtm -69.77 -26.01 64.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.316 -0.402 . . . . 1.28 110.584 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' A' ' 10' ' ' GLU . 94.1 m-20 -62.03 -63.22 1.32 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.705 0.288 . . . . 1.35 110.648 176.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.586 ' CE1' ' HA ' ' A' ' 11' ' ' CYS . 7.8 p90 -69.36 -27.07 65.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.798 0.332 . . . . 1.07 111.13 -175.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 t -85.97 -34.57 20.81 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.948 0.351 . . . . 1.46 111.948 -175.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.494 ' HB2' ' O ' ' A' ' 12' ' ' MET . 67.2 m170 -101.59 6.04 41.94 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.001 0.371 . . . . 3.13 112.001 -174.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -82.3 -4.55 57.41 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 122.002 0.906 . . . . 2.79 109.806 173.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -135.69 79.76 1.79 Allowed 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 113.847 -1.524 . . . . 3.55 107.744 175.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.459 ' O ' HG23 ' A' ' 19' ' ' VAL . 18.9 m -65.15 106.99 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 122.268 1.032 . . . . 2.79 111.485 -172.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.5 tp -76.07 -16.95 15.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.882 -1.054 . . . . 5.04 109.288 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 46.9 p-90 -85.55 22.03 1.67 Allowed 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 115.342 -0.845 . . . . 5.23 111.596 -177.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.93 -16.39 19.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-O 122.362 1.077 . . . . 6.48 109.736 177.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -95.5 10.6 35.97 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 113.738 -1.574 . . . . 8.46 109.957 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 58.4 48.38 12.36 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 114.846 -1.07 . . . . 11.42 111.331 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.1 t30 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.38 -0.819 . . . . 12.1 109.388 178.828 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 122.039 0.923 . . . . 2.23 110.06 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -92.31 25.07 3.09 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.416 -1.266 . . . . 2.82 107.708 168.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 46.9 ttm -148.47 148.87 30.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 113.973 -1.467 . . . . 1.06 109.849 -167.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.2 p -79.55 -173.13 3.6 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 121.541 0.686 . . . . 1.67 110.707 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 12' ' ' MET . 10.3 p-10 -78.47 -47.28 17.75 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.117 -0.947 . . . . 1.94 110.468 -178.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.81 -46.25 85.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 1.55 110.191 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -63.65 -36.11 82.76 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.896 -0.593 . . . . 2.65 110.608 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.4 t -65.23 -47.42 76.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.77 110.1 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.611 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 69.3 mtm -60.72 -32.16 71.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.387 -0.369 . . . . 1.28 110.484 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -60.51 -65.23 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.468 -0.333 . . . . 1.35 111.471 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -75.52 -26.84 58.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.702 0.286 . . . . 1.07 111.641 -171.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 t -95.25 -20.85 18.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.742 0.275 . . . . 1.46 111.742 -171.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.611 ' HB2' ' O ' ' A' ' 12' ' ' MET . 12.1 m170 . . . . . 0 C--N 1.325 -0.47 0 CA-C-O 120.679 0.276 . . . . 3.13 111.109 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.235 0.291 0 CA-C-O 120.613 0.244 . . . . 2.23 110.893 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.8 t70 48.19 52.24 13.61 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 122.066 0.936 . . . . 2.82 109.709 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.425 ' SD ' ' HA ' ' A' ' 11' ' ' CYS . 47.2 ttm -122.53 148.84 44.7 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.787 -1.097 . . . . 1.06 110.456 -172.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.453 ' HB2' ' HB2' ' A' ' 10' ' ' GLU . 6.1 m -61.73 133.26 55.34 Favored 'General case' 0 N--CA 1.434 -1.241 0 N-CA-C 108.977 -0.749 . . . . 1.67 108.977 176.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -55.91 -38.85 70.78 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 115.146 -0.934 . . . . 1.94 111.443 -175.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.1 tp -71.7 -38.88 70.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.029 0.442 . . . . 1.55 110.093 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.453 ' HB2' ' HB2' ' A' ' 7' ' ' SER . 32.5 tt0 -61.47 -40.35 94.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.687 -0.688 . . . . 2.65 109.851 177.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.474 ' HA ' ' HD1' ' A' ' 14' ' ' PHE . 36.5 t -63.06 -45.2 93.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.093 -0.958 . . . . 0.77 110.841 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.518 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 75.9 mtm -67.22 -23.82 65.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.341 -0.39 . . . . 1.28 110.693 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -76.52 -55.59 5.39 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.969 -0.293 . . . . 1.35 111.172 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.474 ' HD1' ' HA ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -70.54 -33.25 70.95 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.607 0.225 . . . . 1.07 111.607 -173.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.6 t -80.92 -43.97 19.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.761 0.315 . . . . 1.46 111.613 -176.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.518 ' HB2' ' O ' ' A' ' 12' ' ' MET . 18.2 m170 . . . . . 0 C--N 1.326 -0.423 0 N-CA-C 111.99 0.367 . . . . 3.13 111.99 -172.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.652 0.263 . . . . 2.23 110.464 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 63.36 21.21 12.68 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.435 0.636 . . . . 2.82 110.315 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.448 ' SD ' ' HA ' ' A' ' 11' ' ' CYS . 40.2 ttm -91.85 133.75 35.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.105 -0.952 . . . . 1.06 109.417 -177.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 9' ' ' LEU . 7.8 m -71.71 83.11 0.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.352 0.501 . . . . 1.67 112.352 -172.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 22.7 t70 30.73 -76.76 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.177 1.791 . . . . 1.94 114.94 175.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 7' ' ' SER . 58.7 tp -54.84 -37.81 66.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.993 0.425 . . . . 1.55 110.305 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.86 -33.73 70.79 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 115.436 -0.802 . . . . 2.65 111.259 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.448 ' HA ' ' SD ' ' A' ' 6' ' ' MET . 52.8 t -60.32 -46.7 88.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.381 0.61 . . . . 0.77 110.074 178.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.415 ' HE3' HD12 ' A' ' 9' ' ' LEU . 73.8 mtm -73.92 -34.02 64.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.514 -0.766 . . . . 1.28 110.298 -179.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -60.44 -56.34 22.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.857 -0.61 . . . . 1.35 110.991 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -39.24 78.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 1.07 110.906 -175.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -69.81 -49.16 55.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.969 0.414 . . . . 1.46 111.394 -175.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 . . . . . 0 C--N 1.324 -0.504 0 N-CA-C 112.069 0.396 . . . . 3.13 112.069 -174.561 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.619 0.247 . . . . 2.23 110.519 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.3 t70 56.91 31.25 19.4 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.877 0.846 . . . . 2.82 110.131 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 23.5 tpp -105.64 159.49 15.93 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.207 -0.906 . . . . 1.06 110.291 -175.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.527 ' HB2' ' HB3' ' A' ' 10' ' ' GLU . 6.0 m -81.36 -166.22 1.12 Allowed 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 109.301 -0.629 . . . . 1.67 109.301 177.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -82.92 -69.07 0.65 Allowed 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 120.77 0.319 . . . . 1.94 111.008 -177.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.406 HD12 ' HE3' ' A' ' 12' ' ' MET . 50.0 tp -61.52 -39.49 91.21 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.626 -0.509 . . . . 1.55 109.626 178.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 7' ' ' SER . 44.1 tt0 -55.56 -40.0 71.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.182 -0.917 . . . . 2.65 111.033 176.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.518 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 49.7 t -66.91 -40.27 87.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.189 0.519 . . . . 0.77 110.277 179.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.487 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 75.5 mtm -71.69 -24.28 61.8 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.167 -0.47 . . . . 1.28 110.352 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -66.28 -56.19 12.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.709 -0.223 . . . . 1.35 111.244 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CE1' ' HA ' ' A' ' 11' ' ' CYS . 8.7 p90 -74.29 -27.47 60.74 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 120.783 -0.367 . . . . 1.07 110.941 -174.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.3 t -83.42 -45.32 13.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.296 0.48 . . . . 1.46 112.296 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.487 ' HB2' ' O ' ' A' ' 12' ' ' MET . 18.5 m170 . . . . . 0 N--CA 1.464 0.273 0 N-CA-C 111.904 0.335 . . . . 3.13 111.904 -172.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.461 0.172 . . . . 2.23 110.594 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 59.36 42.11 18.6 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.421 0.629 . . . . 2.82 109.704 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.513 ' HG3' ' CB ' ' A' ' 10' ' ' GLU . 24.1 ttp -152.01 144.51 24.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.16 -0.927 . . . . 1.06 110.327 -169.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.1 p -89.48 -171.38 3.2 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.071 0.462 . . . . 1.67 110.714 -174.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -67.44 -54.6 18.91 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.353 -0.839 . . . . 1.94 111.48 -174.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.77 -46.91 87.71 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 120.824 0.345 . . . . 1.55 110.082 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.513 ' CB ' ' HG3' ' A' ' 6' ' ' MET . 50.9 mt-10 -57.67 -43.93 85.39 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.663 -0.699 . . . . 2.65 111.161 178.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.1 t -65.93 -41.75 90.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.708 -0.678 . . . . 0.77 110.701 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.554 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 72.9 mtm -66.64 -35.98 81.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.185 -0.462 . . . . 1.28 110.065 177.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -60.05 -63.97 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.582 -0.281 . . . . 1.35 110.933 177.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.22 -29.35 70.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.609 0.243 . . . . 1.07 111.581 -172.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.7 t -87.26 -28.76 22.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.826 0.346 . . . . 1.46 111.335 -175.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.554 ' HB2' ' O ' ' A' ' 12' ' ' MET . 7.5 m170 . . . . . 0 C--N 1.327 -0.371 0 O-C-N 122.065 -0.397 . . . . 3.13 112.065 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.45 -0.43 0 CA-C-O 120.469 0.176 . . . . 2.23 110.555 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.1 t70 64.84 18.91 11.68 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 122.18 0.99 . . . . 2.82 109.468 -178.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.535 ' HG3' ' HB3' ' A' ' 10' ' ' GLU . 14.2 tpp -95.79 120.14 35.53 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.861 -1.063 . . . . 1.06 110.19 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -72.88 90.24 1.44 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.418 -0.355 . . . . 1.67 111.222 -177.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.4 t70 32.65 -80.35 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.928 1.691 . . . . 1.94 114.369 174.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.0 tp -56.72 -36.51 69.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.952 -0.567 . . . . 1.55 111.011 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.535 ' HB3' ' HG3' ' A' ' 6' ' ' MET . 8.0 tp10 -67.29 -29.61 69.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.111 0.481 . . . . 2.65 110.283 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.556 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 33.8 t -69.89 -35.27 74.51 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.235 -0.654 . . . . 0.77 109.235 176.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.583 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 70.6 mtp -66.37 -32.16 73.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.339 -0.846 . . . . 1.28 109.69 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -68.87 -61.06 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.044 -0.525 . . . . 1.35 111.26 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.556 ' CD1' ' HA ' ' A' ' 11' ' ' CYS . 3.5 p90 -70.01 -24.99 63.38 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.943 0.349 . . . . 1.07 111.943 -171.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.9 t -96.74 -33.64 11.63 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.146 0.425 . . . . 1.46 112.146 -175.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.583 ' HB2' ' O ' ' A' ' 12' ' ' MET . 30.3 m-70 . . . . . 0 N--CA 1.465 0.311 0 CA-C-O 120.773 0.32 . . . . 3.13 111.348 -174.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.481 ' C ' ' H ' ' A' ' 6' ' ' MET . 7.2 m . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 109.304 -0.628 . . . . 2.23 109.304 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.2 t70 74.27 -28.82 0.19 Allowed 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.953 0.783 . . . . 2.82 110.808 -175.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.481 ' H ' ' C ' ' A' ' 4' ' ' THR . 32.1 tpp -57.08 123.1 14.04 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.578 -0.737 . . . . 1.06 110.043 176.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.3 m -93.56 104.42 16.55 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.133 0.42 . . . . 1.67 112.133 -170.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 39.12 -82.94 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.68 1.592 . . . . 1.94 114.104 171.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.9 tp -56.69 -46.74 81.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.216 -0.902 . . . . 1.55 110.96 -175.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.43 -29.75 70.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.103 -0.499 . . . . 2.65 110.377 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.598 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 51.6 t -65.13 -48.33 73.95 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.77 109.949 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 71.2 mtm -59.1 -34.3 71.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.576 -0.284 . . . . 1.28 110.797 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -59.71 -59.39 5.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.597 -0.274 . . . . 1.35 111.291 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.598 ' CE1' ' HA ' ' A' ' 11' ' ' CYS . 5.2 p90 -75.53 -13.29 60.35 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.104 0.478 . . . . 1.07 110.645 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -83.83 -48.72 9.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.3 -0.409 . . . . 1.46 111.397 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 p80 . . . . . 0 N--CA 1.457 -0.125 0 C-N-CA 120.953 -0.299 . . . . 3.13 110.714 -174.186 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.449 -0.499 0 CA-C-O 120.724 0.297 . . . . 2.23 110.425 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 62.06 26.39 15.89 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.565 -0.743 . . . . 2.82 110.53 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.449 ' HG2' ' HB3' ' A' ' 10' ' ' GLU . 41.3 ttm -108.55 147.68 31.41 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.835 -0.62 . . . . 1.06 109.835 -178.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.8 m -90.32 104.57 17.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.883 -0.144 . . . . 1.67 110.811 -176.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 21.21 -78.22 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.107 1.763 . . . . 1.94 115.174 171.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.4 tp -57.06 -42.84 81.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.777 -0.647 . . . . 1.55 111.215 -174.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.449 ' HB3' ' HG2' ' A' ' 6' ' ' MET . 5.0 tp10 -63.26 -34.85 78.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.386 0.612 . . . . 2.65 110.126 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.412 ' HA ' ' SD ' ' A' ' 6' ' ' MET . 48.7 t -65.18 -40.09 93.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.407 -0.815 . . . . 0.77 110.157 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.481 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 73.5 mtm -70.91 -31.0 67.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.015 -0.539 . . . . 1.28 110.238 178.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -61.37 -57.59 11.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.444 -0.344 . . . . 1.35 110.949 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -74.11 -38.87 63.69 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.535 -0.302 . . . . 1.07 111.155 -174.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.7 t -71.41 -31.19 66.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.556 0.217 . . . . 1.46 111.2 -175.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.481 ' HB2' ' O ' ' A' ' 12' ' ' MET . 86.6 m-70 . . . . . 0 C--N 1.327 -0.406 0 C-N-CA 121.061 -0.255 . . . . 3.13 111.005 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.756 -0.461 . . . . 2.23 109.756 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 37.0 t70 64.65 18.07 11.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 122.234 1.016 . . . . 2.82 109.725 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 16.3 ttp -114.15 130.71 56.59 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.83 -1.077 . . . . 1.06 110.201 -176.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.6 m -87.51 106.78 18.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.972 -0.558 . . . . 1.67 111.629 -171.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.531 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 13.3 m-20 26.87 -77.01 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 126.207 1.803 . . . . 1.94 115.103 169.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.5 tp -55.24 -45.29 76.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.229 -0.441 . . . . 1.55 110.773 -176.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -66.47 -31.73 72.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.13 0.491 . . . . 2.65 110.166 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 42.2 t -61.95 -44.12 97.42 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.649 -0.705 . . . . 0.77 109.582 174.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.482 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 70.4 mtm -68.43 -38.5 81.24 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.109 -0.496 . . . . 1.28 110.494 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -57.62 -38.36 74.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.905 0.384 . . . . 1.35 111.188 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -91.6 -26.61 18.63 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.054 0.39 . . . . 1.07 112.054 -174.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.0 t -94.41 -26.3 16.57 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.66 -0.416 . . . . 1.46 111.437 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.482 ' HB2' ' O ' ' A' ' 12' ' ' MET . 10.5 m170 . . . . . 0 N--CA 1.465 0.293 0 O-C-N 122.085 -0.384 . . . . 3.13 111.71 -177.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 109.823 -0.436 . . . . 2.23 109.823 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 64.15 18.46 11.27 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.605 0.566 . . . . 2.82 110.476 -175.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.4 tpp -120.64 146.29 46.54 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.679 -0.691 . . . . 1.06 110.649 -177.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -84.81 -179.46 7.1 Favored 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 107.989 -1.115 . . . . 1.67 107.989 172.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -69.78 -42.11 74.22 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 116.122 -0.49 . . . . 1.94 110.557 -173.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.7 tp -72.85 -44.09 61.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.408 -0.36 . . . . 1.55 110.17 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.417 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 8.1 tp10 -62.42 -36.8 83.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.041 -0.527 . . . . 2.65 110.544 -178.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.586 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 37.7 t -63.93 -41.05 97.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.032 -0.531 . . . . 0.77 109.949 177.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.494 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 76.1 mtm -69.77 -26.01 64.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.316 -0.402 . . . . 1.28 110.584 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' A' ' 10' ' ' GLU . 94.1 m-20 -62.03 -63.22 1.32 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.705 0.288 . . . . 1.35 110.648 176.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.586 ' CE1' ' HA ' ' A' ' 11' ' ' CYS . 7.8 p90 -69.36 -27.07 65.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.798 0.332 . . . . 1.07 111.13 -175.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 t -85.97 -34.57 20.81 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.948 0.351 . . . . 1.46 111.948 -175.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.494 ' HB2' ' O ' ' A' ' 12' ' ' MET . 67.2 m170 . . . . . 0 N--CA 1.464 0.273 0 N-CA-C 112.001 0.371 . . . . 3.13 112.001 -174.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 52.5 t . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.793 0.33 . . . . 2.47 110.404 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 m -126.82 110.47 13.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.563 -0.29 . . . . 1.6 111.15 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.4 p -124.71 93.27 3.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.397 0.618 . . . . 0.95 110.654 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.5 t -132.25 -26.79 1.86 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.039 0.923 . . . . 2.23 110.06 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -92.31 25.07 3.09 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.416 -1.266 . . . . 2.82 107.708 168.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 46.9 ttm -148.47 148.87 30.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 113.973 -1.467 . . . . 1.06 109.849 -167.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.2 p -79.55 -173.13 3.6 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 121.541 0.686 . . . . 1.67 110.707 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 12' ' ' MET . 10.3 p-10 -78.47 -47.28 17.75 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.117 -0.947 . . . . 1.94 110.468 -178.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.0 tp -63.81 -46.25 85.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 1.55 110.191 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -63.65 -36.11 82.76 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.896 -0.593 . . . . 2.65 110.608 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.4 t -65.23 -47.42 76.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.77 110.1 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.611 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 69.3 mtm -60.72 -32.16 71.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.387 -0.369 . . . . 1.28 110.484 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -60.51 -65.23 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.468 -0.333 . . . . 1.35 111.471 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -75.52 -26.84 58.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.702 0.286 . . . . 1.07 111.641 -171.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 t -95.25 -20.85 18.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.742 0.275 . . . . 1.46 111.742 -171.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.611 ' HB2' ' O ' ' A' ' 12' ' ' MET . 12.1 m170 -116.39 22.7 12.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.679 0.276 . . . . 3.13 111.109 -178.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -92.36 11.54 25.66 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.33 0.586 . . . . 2.79 111.033 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -135.39 17.52 3.39 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.461 -0.791 . . . . 3.55 110.483 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.461 HG23 HG13 ' A' ' 22' ' ' VAL . 7.0 m -68.2 137.9 23.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.112 -0.495 . . . . 2.79 109.887 177.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.404 ' HA ' HD12 ' A' ' 20' ' ' ILE . 2.9 tp -94.91 -15.34 7.73 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.939 -0.573 . . . . 5.04 111.14 -173.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 40.7 p-90 -82.42 21.9 0.9 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.131 0.491 . . . . 5.23 112.213 -174.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.461 HG13 HG23 ' A' ' 19' ' ' VAL . 21.1 m -89.57 18.51 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.868 -0.606 . . . . 6.48 111.234 -179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -148.44 -55.98 0.21 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.092 -0.958 . . . . 8.46 109.568 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -115.93 133.76 55.69 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.258 -0.883 . . . . 11.42 110.567 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.9 t30 . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.339 -0.839 . . . . 12.1 109.35 172.724 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 86.1 m . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 120.798 0.333 . . . . 2.47 110.468 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 m -94.08 106.07 18.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.4 -0.364 . . . . 1.6 110.196 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 6' ' ' MET . 0.8 OUTLIER -97.9 87.04 3.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.875 -0.416 . . . . 0.95 109.875 -178.533 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.1 m -70.76 95.72 1.16 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.412 -0.358 . . . . 2.23 110.893 -178.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.8 t70 48.19 52.24 13.61 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 122.066 0.936 . . . . 2.82 109.709 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.425 ' SD ' ' HA ' ' A' ' 11' ' ' CYS . 47.2 ttm -122.53 148.84 44.7 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.787 -1.097 . . . . 1.06 110.456 -172.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.453 ' HB2' ' HB2' ' A' ' 10' ' ' GLU . 6.1 m -61.73 133.26 55.34 Favored 'General case' 0 N--CA 1.434 -1.241 0 N-CA-C 108.977 -0.749 . . . . 1.67 108.977 176.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -55.91 -38.85 70.78 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 115.146 -0.934 . . . . 1.94 111.443 -175.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.1 tp -71.7 -38.88 70.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.029 0.442 . . . . 1.55 110.093 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.453 ' HB2' ' HB2' ' A' ' 7' ' ' SER . 32.5 tt0 -61.47 -40.35 94.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.687 -0.688 . . . . 2.65 109.851 177.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.474 ' HA ' ' HD1' ' A' ' 14' ' ' PHE . 36.5 t -63.06 -45.2 93.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.093 -0.958 . . . . 0.77 110.841 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.518 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 75.9 mtm -67.22 -23.82 65.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.341 -0.39 . . . . 1.28 110.693 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -76.52 -55.59 5.39 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.969 -0.293 . . . . 1.35 111.172 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.798 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -70.54 -33.25 70.95 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.607 0.225 . . . . 1.07 111.607 -173.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.6 t -80.92 -43.97 19.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.761 0.315 . . . . 1.46 111.613 -176.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.518 ' HB2' ' O ' ' A' ' 12' ' ' MET . 18.2 m170 -75.41 -13.68 60.41 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.99 0.367 . . . . 3.13 111.99 -172.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.798 ' HE3' ' HA ' ' A' ' 14' ' ' PHE . 22.8 pttp -87.46 -1.68 58.09 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 120.939 0.4 . . . . 2.79 111.694 -177.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.405 ' OD2' ' HG3' ' A' ' 17' ' ' LYS . 32.1 m-20 -136.68 14.72 3.15 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.94 -0.573 . . . . 3.55 111.348 -177.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.53 HG23 ' HB ' ' A' ' 22' ' ' VAL . 8.1 m -66.55 120.92 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.397 0.618 . . . . 2.79 110.461 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 20' ' ' ILE . 3.1 tp -85.5 -9.83 11.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.505 -0.771 . . . . 5.04 109.883 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 -102.69 26.53 7.88 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 115.015 -0.993 . . . . 5.23 110.499 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.61 HG22 ' ND2' ' A' ' 23' ' ' ASN . 3.7 p -65.07 108.53 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 CA-C-N 115.055 -0.975 . . . . 6.48 110.345 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.61 ' ND2' HG22 ' A' ' 22' ' ' VAL . 65.2 m-80 97.45 158.95 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.048 1.339 . . . . 8.46 111.573 175.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 72.06 -70.32 0.16 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 114.649 -1.159 . . . . 11.42 112.406 175.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--O 1.248 1.026 0 O-C-N 124.021 0.825 . . . . 12.1 109.517 -169.163 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 81.0 m . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 121.005 0.431 . . . . 2.47 110.339 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.6 m -91.69 107.86 19.5 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.796 -0.638 . . . . 1.6 110.256 178.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.422 ' SG ' ' HE1' ' A' ' 14' ' ' PHE . 29.9 m -102.59 86.59 2.81 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.716 -0.675 . . . . 0.95 110.127 -177.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.5 m -97.36 113.31 24.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.606 -0.725 . . . . 2.23 110.464 -174.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 63.36 21.21 12.68 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.435 0.636 . . . . 2.82 110.315 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.448 ' SD ' ' HA ' ' A' ' 11' ' ' CYS . 40.2 ttm -91.85 133.75 35.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.105 -0.952 . . . . 1.06 109.417 -177.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 9' ' ' LEU . 7.8 m -71.71 83.11 0.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.352 0.501 . . . . 1.67 112.352 -172.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 22.7 t70 30.73 -76.76 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.177 1.791 . . . . 1.94 114.94 175.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.572 HD21 HG23 ' A' ' 22' ' ' VAL . 58.7 tp -54.84 -37.81 66.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.993 0.425 . . . . 1.55 110.305 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.86 -33.73 70.79 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-N 115.436 -0.802 . . . . 2.65 111.259 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' HA ' ' SD ' ' A' ' 6' ' ' MET . 52.8 t -60.32 -46.7 88.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.381 0.61 . . . . 0.77 110.074 178.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.415 ' HE3' HD12 ' A' ' 9' ' ' LEU . 73.8 mtm -73.92 -34.02 64.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.514 -0.766 . . . . 1.28 110.298 -179.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -60.44 -56.34 22.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.857 -0.61 . . . . 1.35 110.991 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.422 ' HE1' ' SG ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -69.34 -39.24 78.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 1.07 110.906 -175.564 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -69.81 -49.16 55.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.969 0.414 . . . . 1.46 111.394 -175.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -97.24 -52.67 3.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.069 0.396 . . . . 3.13 112.069 -174.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm 64.68 24.96 13.01 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.52 0.676 . . . . 2.79 110.425 -171.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -105.31 5.82 32.24 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-N 115.28 -0.873 . . . . 3.55 109.812 175.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.437 HG12 ' HB ' ' A' ' 22' ' ' VAL . 43.7 t -76.84 94.79 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 CA-C-N 114.993 -1.003 . . . . 2.79 110.657 -175.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tp -91.02 -22.11 6.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 115.153 -0.931 . . . . 5.04 108.882 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 7.3 p-90 -83.5 29.11 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.39 -1.277 . . . . 5.23 111.108 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.572 HG23 HD21 ' A' ' 9' ' ' LEU . 12.5 p -105.35 9.18 9.5 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 CA-C-N 114.534 -1.212 . . . . 6.48 108.089 174.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -78.45 101.0 7.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 113.843 -1.526 . . . . 8.46 110.577 -177.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -112.63 -8.96 13.78 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.693 -0.685 . . . . 11.42 110.229 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.321 -0.847 . . . . 12.1 109.82 177.068 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 66.1 m . . . . . 0 N--CA 1.475 0.825 0 CA-C-O 120.902 0.382 . . . . 2.47 110.534 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 t -99.45 109.25 21.84 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.3 -0.63 . . . . 1.6 109.3 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.611 ' HB3' ' HB3' ' A' ' 6' ' ' MET . 3.9 m -85.92 98.27 10.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.232 -0.44 . . . . 0.95 110.798 -176.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.5 m -86.37 98.94 11.27 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.445 -0.343 . . . . 2.23 110.519 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.3 t70 56.91 31.25 19.4 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.877 0.846 . . . . 2.82 110.131 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.611 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 23.5 tpp -105.64 159.49 15.93 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.207 -0.906 . . . . 1.06 110.291 -175.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.527 ' HB2' ' HB3' ' A' ' 10' ' ' GLU . 6.0 m -81.36 -166.22 1.12 Allowed 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 109.301 -0.629 . . . . 1.67 109.301 177.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -82.92 -69.07 0.65 Allowed 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 120.77 0.319 . . . . 1.94 111.008 -177.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.406 HD12 ' HE3' ' A' ' 12' ' ' MET . 50.0 tp -61.52 -39.49 91.21 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.626 -0.509 . . . . 1.55 109.626 178.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 7' ' ' SER . 44.1 tt0 -55.56 -40.0 71.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.182 -0.917 . . . . 2.65 111.033 176.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.518 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 49.7 t -66.91 -40.27 87.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.189 0.519 . . . . 0.77 110.277 179.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.487 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 75.5 mtm -71.69 -24.28 61.8 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.167 -0.47 . . . . 1.28 110.352 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -66.28 -56.19 12.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.709 -0.223 . . . . 1.35 111.244 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CE1' ' HA ' ' A' ' 11' ' ' CYS . 8.7 p90 -74.29 -27.47 60.74 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 120.783 -0.367 . . . . 1.07 110.941 -174.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.3 t -83.42 -45.32 13.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.296 0.48 . . . . 1.46 112.296 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.487 ' HB2' ' O ' ' A' ' 12' ' ' MET . 18.5 m170 -82.97 2.4 34.94 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.904 0.335 . . . . 3.13 111.904 -172.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -88.69 -2.46 58.6 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.412 0.625 . . . . 2.79 110.251 175.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -129.26 32.91 4.62 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 114.997 -1.002 . . . . 3.55 110.613 -177.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.44 ' O ' HG23 ' A' ' 22' ' ' VAL . 31.1 m -58.75 127.8 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.309 0.576 . . . . 2.79 110.127 176.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.6 tp -83.71 -1.57 6.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.971 -0.559 . . . . 5.04 111.485 -172.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 5.5 p-90 -108.56 39.17 2.05 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.42 0.526 . . . . 5.23 112.42 -177.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 19' ' ' VAL . 62.1 t -74.54 104.4 3.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.423 -0.353 . . . . 6.48 110.723 177.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.8 t30 72.51 118.86 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.942 0.777 . . . . 8.46 111.023 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -105.16 -22.92 13.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.946 -0.57 . . . . 11.42 110.476 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.48 -0.771 . . . . 12.1 110.11 179.845 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.5 m . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.147 -0.316 . . . . 2.47 110.147 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -78.02 101.83 7.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.099 0.476 . . . . 1.6 110.508 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 m -92.44 97.17 10.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.097 -0.501 . . . . 0.95 110.094 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.1 m -95.45 112.77 24.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.397 -0.365 . . . . 2.23 110.594 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 59.36 42.11 18.6 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.421 0.629 . . . . 2.82 109.704 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.513 ' HG3' ' CB ' ' A' ' 10' ' ' GLU . 24.1 ttp -152.01 144.51 24.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.16 -0.927 . . . . 1.06 110.327 -169.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.1 p -89.48 -171.38 3.2 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.071 0.462 . . . . 1.67 110.714 -174.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -67.44 -54.6 18.91 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.353 -0.839 . . . . 1.94 111.48 -174.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.77 -46.91 87.71 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 120.824 0.345 . . . . 1.55 110.082 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.513 ' CB ' ' HG3' ' A' ' 6' ' ' MET . 50.9 mt-10 -57.67 -43.93 85.39 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.663 -0.699 . . . . 2.65 111.161 178.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.1 t -65.93 -41.75 90.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.708 -0.678 . . . . 0.77 110.701 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.554 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 72.9 mtm -66.64 -35.98 81.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.185 -0.462 . . . . 1.28 110.065 177.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.407 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 95.7 m-20 -60.05 -63.97 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.582 -0.281 . . . . 1.35 110.933 177.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.447 ' HA ' ' HD3' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -63.22 -29.35 70.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.609 0.243 . . . . 1.07 111.581 -172.229 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.7 t -87.26 -28.76 22.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.826 0.346 . . . . 1.46 111.335 -175.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.649 ' HA ' ' HE1' ' A' ' 21' ' ' TRP . 7.5 m170 -102.6 -5.2 24.15 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 122.065 -0.397 . . . . 3.13 112.065 -177.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.495 ' HG3' ' OD2' ' A' ' 18' ' ' ASP . 23.1 pttp -70.92 -7.75 48.04 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.512 0.93 . . . . 2.79 113.512 -171.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.495 ' OD2' ' HG3' ' A' ' 17' ' ' LYS . 20.5 m-20 -138.19 -7.51 1.56 Allowed 'General case' 0 C--N 1.308 -1.2 0 C-N-CA 120.779 -0.368 . . . . 3.55 111.457 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' ' 19' ' ' VAL . 59.9 t 52.39 59.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 122.369 1.08 . . . . 2.79 109.856 -171.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.3 tp -71.14 -17.29 19.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 114.911 -1.04 . . . . 5.04 109.28 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.649 ' HE1' ' HA ' ' A' ' 16' ' ' HIS . 14.3 p-90 -88.49 23.35 2.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.705 -1.134 . . . . 5.23 111.125 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.0 p -61.21 96.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.069 -0.969 . . . . 6.48 111.156 -178.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -131.92 103.42 6.3 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.328 -0.851 . . . . 8.46 109.494 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.639 ' HD3' ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -167.61 -35.39 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.01 -0.996 . . . . 11.42 109.442 -173.047 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.639 ' N ' ' HD3' ' A' ' 24' ' ' ARG . 21.8 t-20 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 114.464 -1.244 . . . . 12.1 108.015 175.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 71.9 m . . . . . 0 N--CA 1.475 0.798 0 CA-C-O 120.8 0.333 . . . . 2.47 110.661 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 m -91.4 95.84 10.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.952 0.406 . . . . 1.6 109.926 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 m -83.22 91.38 7.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.311 -0.404 . . . . 0.95 110.181 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.5 m -98.39 103.44 15.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.394 -0.366 . . . . 2.23 110.555 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.1 t70 64.84 18.91 11.68 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 122.18 0.99 . . . . 2.82 109.468 -178.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.535 ' HG3' ' HB3' ' A' ' 10' ' ' GLU . 14.2 tpp -95.79 120.14 35.53 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.861 -1.063 . . . . 1.06 110.19 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -72.88 90.24 1.44 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.418 -0.355 . . . . 1.67 111.222 -177.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.4 t70 32.65 -80.35 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.928 1.691 . . . . 1.94 114.369 174.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.0 tp -56.72 -36.51 69.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.952 -0.567 . . . . 1.55 111.011 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.535 ' HB3' ' HG3' ' A' ' 6' ' ' MET . 8.0 tp10 -67.29 -29.61 69.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.111 0.481 . . . . 2.65 110.283 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.556 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 33.8 t -69.89 -35.27 74.51 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.235 -0.654 . . . . 0.77 109.235 176.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.583 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 70.6 mtp -66.37 -32.16 73.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.339 -0.846 . . . . 1.28 109.69 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -68.87 -61.06 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.044 -0.525 . . . . 1.35 111.26 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.556 ' CD1' ' HA ' ' A' ' 11' ' ' CYS . 3.5 p90 -70.01 -24.99 63.38 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.943 0.349 . . . . 1.07 111.943 -171.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.9 t -96.74 -33.64 11.63 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.146 0.425 . . . . 1.46 112.146 -175.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.583 ' HB2' ' O ' ' A' ' 12' ' ' MET . 30.3 m-70 -95.83 12.29 30.66 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.773 0.32 . . . . 3.13 111.348 -174.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.421 ' HE2' ' HB2' ' A' ' 17' ' ' LYS . 8.0 ptmm? -92.96 16.86 11.69 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.359 0.599 . . . . 2.79 110.264 174.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -137.56 43.85 2.27 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.098 -0.956 . . . . 3.55 110.023 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.515 HG23 HG13 ' A' ' 22' ' ' VAL . 30.2 m -63.38 134.17 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.884 -0.598 . . . . 2.79 110.315 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.421 ' HA ' HD12 ' A' ' 20' ' ' ILE . 7.2 tp -88.61 -13.3 9.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.124 0.487 . . . . 5.04 110.918 -174.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 9.1 p-90 -89.74 40.34 0.99 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.002 0.43 . . . . 5.23 111.946 -175.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.515 HG13 HG23 ' A' ' 19' ' ' VAL . 23.5 m -92.53 14.53 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.498 0.666 . . . . 6.48 110.29 176.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -137.58 131.56 31.82 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.131 -0.94 . . . . 8.46 110.504 -176.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 62.77 79.8 0.25 Allowed 'General case' 0 C--O 1.236 0.376 0 O-C-N 124.109 0.881 . . . . 11.42 111.36 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.272 -0.87 . . . . 12.1 109.961 179.089 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 65.2 m . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.846 -0.427 . . . . 2.47 109.846 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -95.03 98.69 10.86 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.954 0.407 . . . . 1.6 110.61 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.506 ' HB3' ' HB3' ' A' ' 6' ' ' MET . 0.0 OUTLIER -93.61 100.73 12.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.275 -0.421 . . . . 0.95 110.244 179.502 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.481 ' C ' ' H ' ' A' ' 6' ' ' MET . 7.2 m -98.7 110.48 23.07 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.304 -0.628 . . . . 2.23 109.304 179.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.2 t70 74.27 -28.82 0.19 Allowed 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.953 0.783 . . . . 2.82 110.808 -175.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.506 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 32.1 tpp -57.08 123.1 14.04 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.578 -0.737 . . . . 1.06 110.043 176.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.3 m -93.56 104.42 16.55 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.133 0.42 . . . . 1.67 112.133 -170.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 39.12 -82.94 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.68 1.592 . . . . 1.94 114.104 171.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.9 tp -56.69 -46.74 81.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.216 -0.902 . . . . 1.55 110.96 -175.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.43 -29.75 70.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.103 -0.499 . . . . 2.65 110.377 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.598 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 51.6 t -65.13 -48.33 73.95 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.77 109.949 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 71.2 mtm -59.1 -34.3 71.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.576 -0.284 . . . . 1.28 110.797 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -59.71 -59.39 5.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.597 -0.274 . . . . 1.35 111.291 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.598 ' CE1' ' HA ' ' A' ' 11' ' ' CYS . 5.2 p90 -75.53 -13.29 60.35 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.104 0.478 . . . . 1.07 110.645 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -83.83 -48.72 9.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.3 -0.409 . . . . 1.46 111.397 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -72.83 -26.3 61.44 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 120.953 -0.299 . . . . 3.13 110.714 -174.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 17' ' ' LYS . 4.9 mmmp? 50.23 32.24 5.93 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.883 0.697 . . . . 2.79 112.883 173.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 62.13 10.66 3.85 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 122.912 0.485 . . . . 3.55 111.689 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.508 ' O ' HG12 ' A' ' 19' ' ' VAL . 49.4 t 51.9 48.36 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 122.8 1.285 . . . . 2.79 109.971 -174.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.7 tp -78.99 -12.85 13.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.369 -1.287 . . . . 5.04 108.982 174.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.405 ' CZ2' HG22 ' A' ' 19' ' ' VAL . 5.8 p-90 -84.59 28.01 0.69 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.762 -1.108 . . . . 5.23 111.691 -178.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.0 p -100.96 5.81 10.06 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-O 122.613 1.196 . . . . 6.48 109.227 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -120.28 117.35 27.59 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 114.131 -1.395 . . . . 8.46 109.356 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -161.3 174.1 14.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.281 -0.418 . . . . 11.42 110.072 -176.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--O 1.248 0.992 0 N-CA-C 109.098 -0.704 . . . . 12.1 109.098 178.101 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 120.992 0.425 . . . . 2.47 110.432 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 m -104.48 104.0 13.78 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.098 -0.501 . . . . 1.6 109.942 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 m -91.95 100.55 13.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.096 -0.502 . . . . 0.95 110.683 -175.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.2 m -94.29 100.65 12.66 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.724 0.297 . . . . 2.23 110.425 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 62.06 26.39 15.89 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.565 -0.743 . . . . 2.82 110.53 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.449 ' HG2' ' HB3' ' A' ' 10' ' ' GLU . 41.3 ttm -108.55 147.68 31.41 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.835 -0.62 . . . . 1.06 109.835 -178.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.8 m -90.32 104.57 17.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.883 -0.144 . . . . 1.67 110.811 -176.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 21.21 -78.22 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.107 1.763 . . . . 1.94 115.174 171.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.4 tp -57.06 -42.84 81.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.777 -0.647 . . . . 1.55 111.215 -174.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' HB3' ' HG2' ' A' ' 6' ' ' MET . 5.0 tp10 -63.26 -34.85 78.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.386 0.612 . . . . 2.65 110.126 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.412 ' HA ' ' SD ' ' A' ' 6' ' ' MET . 48.7 t -65.18 -40.09 93.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.407 -0.815 . . . . 0.77 110.157 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.481 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 73.5 mtm -70.91 -31.0 67.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.015 -0.539 . . . . 1.28 110.238 178.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -61.37 -57.59 11.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.444 -0.344 . . . . 1.35 110.949 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -74.11 -38.87 63.69 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.535 -0.302 . . . . 1.07 111.155 -174.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.7 t -71.41 -31.19 66.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.556 0.217 . . . . 1.46 111.2 -175.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.481 ' HB2' ' O ' ' A' ' 12' ' ' MET . 86.6 m-70 -97.89 0.98 47.59 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 121.061 -0.255 . . . . 3.13 111.005 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.3 mttp 52.45 53.81 11.69 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.576 0.548 . . . . 2.79 112.193 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 61.6 11.03 3.62 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.958 -0.565 . . . . 3.55 111.727 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.404 HG22 ' CZ2' ' A' ' 21' ' ' TRP . 85.6 t 61.04 72.69 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-O 121.975 0.893 . . . . 2.79 109.766 -174.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.3 tp -86.99 -15.67 9.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 114.666 -1.152 . . . . 5.04 109.507 176.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.404 ' CZ2' HG22 ' A' ' 19' ' ' VAL . 2.3 p-90 -81.65 53.85 2.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.069 -0.969 . . . . 5.23 111.249 -178.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 t -85.77 14.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.732 0.777 . . . . 6.48 109.83 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.3 m120 69.32 15.72 8.45 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.003 -1.453 . . . . 8.46 110.193 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.414 ' HD2' ' C ' ' A' ' 24' ' ' ARG . 7.8 ppt_? -160.73 155.32 23.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.633 -1.167 . . . . 11.42 108.144 175.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.4 t30 . . . . . 0 C--O 1.246 0.884 0 CA-C-O 118.458 -0.782 . . . . 12.1 109.656 179.442 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 20.1 p . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 120.996 0.427 . . . . 2.47 110.247 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.7 m -87.88 104.66 16.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.059 0.457 . . . . 1.6 110.972 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.436 ' SG ' ' HE1' ' A' ' 14' ' ' PHE . 84.0 m -95.18 97.42 9.88 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.525 -0.546 . . . . 0.95 109.525 176.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.3 m -116.86 123.87 48.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.063 -0.517 . . . . 2.23 109.756 -175.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 37.0 t70 64.65 18.07 11.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 122.234 1.016 . . . . 2.82 109.725 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 16.3 ttp -114.15 130.71 56.59 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.83 -1.077 . . . . 1.06 110.201 -176.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.6 m -87.51 106.78 18.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.972 -0.558 . . . . 1.67 111.629 -171.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.531 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 13.3 m-20 26.87 -77.01 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 126.207 1.803 . . . . 1.94 115.103 169.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.5 tp -55.24 -45.29 76.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.229 -0.441 . . . . 1.55 110.773 -176.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -66.47 -31.73 72.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.13 0.491 . . . . 2.65 110.166 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 42.2 t -61.95 -44.12 97.42 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.649 -0.705 . . . . 0.77 109.582 174.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.482 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 70.4 mtm -68.43 -38.5 81.24 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.109 -0.496 . . . . 1.28 110.494 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -57.62 -38.36 74.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.905 0.384 . . . . 1.35 111.188 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.454 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -91.6 -26.61 18.63 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.054 0.39 . . . . 1.07 112.054 -174.737 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.0 t -94.41 -26.3 16.57 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.66 -0.416 . . . . 1.46 111.437 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.482 ' HB2' ' O ' ' A' ' 12' ' ' MET . 10.5 m170 -84.37 14.38 4.49 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 122.085 -0.384 . . . . 3.13 111.71 -177.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 14' ' ' PHE . 18.9 pttp -94.74 4.71 53.5 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 121.692 0.758 . . . . 2.79 110.04 175.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -119.16 21.35 12.33 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 114.797 -1.092 . . . . 3.55 109.876 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.8 m -67.04 121.74 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 121.35 0.595 . . . . 2.79 110.597 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.1 tp -76.66 -19.07 14.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.55 0.69 . . . . 5.04 110.291 -177.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 14.7 p-90 -93.03 34.45 1.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.272 -0.877 . . . . 5.23 110.451 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.6 p -65.49 99.47 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.157 -0.929 . . . . 6.48 111.116 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -149.33 -77.23 0.15 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.08 -0.963 . . . . 8.46 108.946 175.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -175.91 100.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.464 -0.789 . . . . 11.42 109.188 175.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.528 -0.748 . . . . 12.1 110.407 -177.204 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 49.8 t . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.79 -0.448 . . . . 2.47 109.79 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.6 m -108.75 137.79 46.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.982 -0.554 . . . . 1.6 110.604 -178.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.3 m -98.89 109.75 22.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.284 -0.416 . . . . 0.95 110.162 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.6 m -124.43 124.55 42.58 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.823 -0.436 . . . . 2.23 109.823 177.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 64.15 18.46 11.27 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.605 0.566 . . . . 2.82 110.476 -175.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.4 tpp -120.64 146.29 46.54 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.679 -0.691 . . . . 1.06 110.649 -177.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -84.81 -179.46 7.1 Favored 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 107.989 -1.115 . . . . 1.67 107.989 172.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -69.78 -42.11 74.22 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 116.122 -0.49 . . . . 1.94 110.557 -173.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.7 tp -72.85 -44.09 61.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.408 -0.36 . . . . 1.55 110.17 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 8.1 tp10 -62.42 -36.8 83.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.041 -0.527 . . . . 2.65 110.544 -178.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.586 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 37.7 t -63.93 -41.05 97.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.032 -0.531 . . . . 0.77 109.949 177.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.494 ' O ' ' HB2' ' A' ' 16' ' ' HIS . 76.1 mtm -69.77 -26.01 64.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.316 -0.402 . . . . 1.28 110.584 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' A' ' 10' ' ' GLU . 94.1 m-20 -62.03 -63.22 1.32 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.705 0.288 . . . . 1.35 110.648 176.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.586 ' CE1' ' HA ' ' A' ' 11' ' ' CYS . 7.8 p90 -69.36 -27.07 65.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.798 0.332 . . . . 1.07 111.13 -175.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.4 t -85.97 -34.57 20.81 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.948 0.351 . . . . 1.46 111.948 -175.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.494 ' HB2' ' O ' ' A' ' 12' ' ' MET . 67.2 m170 -101.59 6.04 41.94 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.001 0.371 . . . . 3.13 112.001 -174.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -82.3 -4.55 57.41 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 122.002 0.906 . . . . 2.79 109.806 173.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -135.69 79.76 1.79 Allowed 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 113.847 -1.524 . . . . 3.55 107.744 175.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.459 ' O ' HG23 ' A' ' 19' ' ' VAL . 18.9 m -65.15 106.99 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 122.268 1.032 . . . . 2.79 111.485 -172.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.5 tp -76.07 -16.95 15.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.882 -1.054 . . . . 5.04 109.288 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 46.9 p-90 -85.55 22.03 1.67 Allowed 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 115.342 -0.845 . . . . 5.23 111.596 -177.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.93 -16.39 19.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-O 122.362 1.077 . . . . 6.48 109.736 177.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.488 HD22 ' C ' ' A' ' 23' ' ' ASN . 0.4 OUTLIER -95.5 10.6 35.97 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 113.738 -1.574 . . . . 8.46 109.957 176.807 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 58.4 48.38 12.36 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 114.846 -1.07 . . . . 11.42 111.331 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.1 t30 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.38 -0.819 . . . . 12.1 109.388 178.828 . . . . . . . . 0 0 . 1 stop_ save_