data_6gig_residue ############################ # Computer software used # ############################ 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 6gig _Structure_validation_residue.Date_analyzed 2019-09-06 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 ' 8' ' ' ASN . . . . . . . . . . . . . 17.0 m120 . . . . . 0 N--CA 1.472 0.647 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.2 m -68.29 -2.18 7.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -172.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.666 ' O ' HD23 ' A' ' 13' ' ' LEU . 61.7 p-90 -70.97 -31.16 67.64 Favored 'General case' 0 C--O 1.204 -1.322 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.539 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -59.7 -34.23 72.62 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.394 -0.816 . . . . 0.0 110.787 -176.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.55 -32.49 73.46 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.23 -1.35 . . . . 0.0 110.386 173.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -80.66 -29.16 36.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.438 174.379 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -74.49 -43.41 56.09 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.723 -1.126 . . . . 0.0 112.663 -166.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.5 mt -74.2 -14.52 60.95 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.777 0.799 . . . . 0.0 108.884 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 12.4 tmtt? -77.39 -39.33 47.58 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 114.348 -1.296 . . . . 0.0 107.888 170.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.4 mt -63.93 -41.17 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.801 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.9 t -66.03 -34.05 77.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.167 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -75.32 -59.44 2.74 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.019 -177.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 mp -68.8 -24.49 64.41 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.409 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.06 -38.57 95.77 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.073 -1.06 . . . . 0.0 110.984 173.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.511 ' O ' HG12 ' A' ' 25' ' ' VAL . 53.7 t -75.08 -28.84 60.47 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.46 176.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.441 ' O ' ' HB ' ' A' ' 26' ' ' VAL . 61.8 tttm -82.44 -27.21 32.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.053 0.454 . . . . 0.0 110.877 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.625 ' O ' HG12 ' A' ' 24' ' ' VAL . 94.9 t -89.51 14.15 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 122.944 1.354 . . . . 0.0 109.582 175.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.511 HG12 ' O ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -91.18 -29.54 4.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 161.012 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.441 ' HB ' ' O ' ' A' ' 23' ' ' LYS . 94.8 t -72.32 -51.04 31.67 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.886 0 CA-C-N 113.985 -1.461 . . . . 0.0 111.363 -173.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.616 HD21 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -60.44 -17.67 46.11 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.776 -177.148 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.616 ' N ' HD21 ' A' ' 27' ' ' LEU . 88.6 mt . . . . . 0 C--O 1.233 0.234 0 CA-C-O 121.308 0.575 . . . . 0.0 109.709 172.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 120.838 0.351 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.8 t -76.66 -18.52 58.52 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 122.23 -0.294 . . . . 0.0 111.001 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.608 ' O ' HD22 ' A' ' 13' ' ' LEU . 61.6 p-90 -55.9 -31.8 63.18 Favored 'General case' 0 C--O 1.203 -1.349 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.117 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -56.75 -39.32 73.78 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 122.295 1.045 . . . . 0.0 110.974 -174.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.09 -30.97 67.22 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 113.548 -1.66 . . . . 0.0 110.341 178.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.608 HD22 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -73.05 -30.34 63.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.837 171.723 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 10' ' ' TRP . 58.7 t80 -76.7 -39.03 53.31 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 114.065 -1.425 . . . . 0.0 111.516 -168.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 tp -72.88 -22.19 60.8 Favored 'General case' 0 N--CA 1.405 -2.676 0 CA-C-O 121.824 0.821 . . . . 0.0 109.623 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.471 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 1.2 tmtp? -75.46 -38.06 59.88 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 114.365 -1.289 . . . . 0.0 108.446 169.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.422 ' HB ' ' HA ' ' A' ' 14' ' ' TYR . 6.6 mt -62.99 -40.83 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.707 176.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.5 t -69.91 -19.59 63.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.266 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.409 ' CE2' ' HD2' ' A' ' 23' ' ' LYS . 48.1 t80 -88.74 -60.29 2.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.769 -177.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.432 HD11 ' HG2' ' A' ' 16' ' ' LYS . 8.5 mp -72.1 -25.67 61.84 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.063 -178.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.53 -32.61 84.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.077 -1.058 . . . . 0.0 110.852 171.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.566 ' O ' HG13 ' A' ' 25' ' ' VAL . 45.8 t -80.52 -15.47 56.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.259 -0.47 . . . . 0.0 110.192 177.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HD2' ' CE2' ' A' ' 19' ' ' PHE . 30.0 mtpp -90.03 -33.58 16.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.341 0.591 . . . . 0.0 110.341 174.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.624 HG11 ' O ' ' A' ' 24' ' ' VAL . 85.0 t -89.96 14.35 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 122.748 1.261 . . . . 0.0 109.744 176.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 22' ' ' CYS . 1.2 p -92.28 -25.96 5.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 161.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.1 t -74.98 -49.44 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 CA-C-N 114.271 -1.331 . . . . 0.0 111.21 -174.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.616 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -61.92 -16.49 51.23 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.361 -178.016 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.616 ' N ' HD23 ' A' ' 27' ' ' LEU . 85.2 mt . . . . . 0 N--CA 1.457 -0.091 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.706 172.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.706 0.288 . . . . 0.0 111.482 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.1 m -70.43 -1.65 11.39 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -171.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.664 ' O ' HD22 ' A' ' 13' ' ' LEU . 61.3 p-90 -75.69 -31.25 59.62 Favored 'General case' 0 C--O 1.202 -1.434 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.422 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -59.81 -34.31 72.88 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.785 0.802 . . . . 0.0 110.571 -176.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -65.33 -26.8 68.21 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.613 174.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.664 HD22 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -84.94 -27.45 26.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.059 173.849 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.537 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 53.7 t80 -75.99 -40.34 53.97 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.623 -1.171 . . . . 0.0 112.141 -166.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -78.77 -17.17 56.2 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 11.9 tmtt? -73.59 -36.18 65.5 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.637 -1.165 . . . . 0.0 107.892 168.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.537 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 6.5 mt -63.35 -36.34 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 115.03 -0.987 . . . . 0.0 110.297 174.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.0 t -63.22 -41.39 99.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.376 0.607 . . . . 0.0 109.922 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -64.46 -59.38 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.847 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mp -67.3 -26.58 66.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.965 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.89 -31.91 82.39 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.38 173.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.47 ' O ' HG13 ' A' ' 25' ' ' VAL . 44.9 t -76.34 -23.95 54.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.896 0.379 . . . . 0.0 110.316 176.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -81.86 -31.81 31.38 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.366 0.603 . . . . 0.0 110.177 174.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.633 HG13 ' O ' ' A' ' 24' ' ' VAL . 92.6 t -84.16 14.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 122.817 1.294 . . . . 0.0 110.024 175.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -91.94 -27.5 4.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 162.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.0 t -76.74 -49.71 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.632 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.155 -173.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.668 HD21 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -60.5 -16.65 39.12 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.487 -178.74 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.668 ' N ' HD21 ' A' ' 27' ' ' LEU . 83.7 mt . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 121.143 0.497 . . . . 0.0 109.868 173.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.6 t30 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.954 0.407 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 t -69.82 -11.86 61.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.063 -173.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.582 ' O ' HD23 ' A' ' 13' ' ' LEU . 55.8 p-90 -63.26 -31.93 73.21 Favored 'General case' 0 C--O 1.2 -1.542 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.203 176.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 41.0 mtmt -58.35 -33.54 69.66 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.767 0.794 . . . . 0.0 110.83 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -65.72 -37.2 85.74 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.401 -1.272 . . . . 0.0 110.223 174.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -69.9 -34.36 73.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 122.054 0.931 . . . . 0.0 109.94 171.649 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.521 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 50.7 t80 -74.5 -40.29 61.9 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 114.383 -1.28 . . . . 0.0 112.319 -166.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 14.3 mt -80.62 -9.92 59.76 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 121.805 0.812 . . . . 0.0 109.01 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.522 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 1.2 tmtp? -77.72 -39.6 44.02 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 166.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.521 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 20.1 mt -63.13 -47.63 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.455 175.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 t -60.82 -37.64 82.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.033 178.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -65.25 -58.54 5.69 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.226 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.72 -35.71 80.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.295 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.85 -34.47 88.87 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.253 177.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.572 ' O ' HG13 ' A' ' 25' ' ' VAL . 52.9 t -70.92 -22.89 62.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.61 0.243 . . . . 0.0 110.848 177.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.428 ' O ' ' HB ' ' A' ' 26' ' ' VAL . 28.7 ttpp -91.31 -34.07 15.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.315 0.579 . . . . 0.0 110.3 177.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 24' ' ' VAL . 87.1 t -90.17 13.8 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 122.604 1.192 . . . . 0.0 110.1 177.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 22' ' ' CYS . 2.4 p -92.03 -24.06 5.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 161.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' A' ' 23' ' ' LYS . 94.0 t -77.11 -51.48 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.678 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.318 -174.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.654 HD22 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -58.61 -17.05 18.84 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.113 -179.609 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.654 ' N ' HD22 ' A' ' 27' ' ' LEU . 84.1 mt . . . . . 0 N--CA 1.454 -0.243 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.832 174.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.6 m120 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.566 0.222 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.0 m -65.4 -30.67 71.51 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.965 0.412 . . . . 0.0 111.322 -175.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.613 ' O ' HD21 ' A' ' 13' ' ' LEU . 49.8 p-90 -61.18 -34.51 75.17 Favored 'General case' 0 C--O 1.202 -1.44 0 CA-C-N 115.947 -0.569 . . . . 0.0 112.283 -176.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.462 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 50.4 mtpt -56.01 -40.48 73.46 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 122.049 0.928 . . . . 0.0 111.4 -171.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.95 -36.86 78.41 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.234 178.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.613 HD21 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -63.82 -35.27 80.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 122.188 0.994 . . . . 0.0 109.917 170.494 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.46 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 67.1 t80 -75.41 -44.42 44.66 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.946 -1.479 . . . . 0.0 112.004 -167.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 15.1 mt -73.71 -14.07 61.08 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 12.3 tmtt? -78.24 -39.51 40.08 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.717 -1.129 . . . . 0.0 108.085 169.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.46 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 10.6 mt -61.76 -45.29 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.23 174.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 m -63.13 -28.77 70.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.399 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -74.53 -60.31 2.34 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.722 -176.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 20' ' ' LEU . 10.1 mp -67.38 -26.72 66.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.818 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.16 -24.13 74.69 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.321 173.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.606 ' O ' HG12 ' A' ' 25' ' ' VAL . 42.1 t -84.38 -18.15 37.03 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 176.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -88.42 -39.67 14.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.438 0.637 . . . . 0.0 110.006 175.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.594 HG11 ' O ' ' A' ' 24' ' ' VAL . 81.1 t -86.93 14.07 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 122.527 1.156 . . . . 0.0 110.225 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 22' ' ' CYS . 2.9 p -92.48 -26.4 4.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 164.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.7 t -75.58 -49.73 25.94 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.692 0 CA-C-N 114.256 -1.338 . . . . 0.0 110.751 -174.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.724 HD22 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -63.36 -17.42 62.59 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.562 -1.199 . . . . 0.0 112.014 -176.064 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.724 ' N ' HD22 ' A' ' 27' ' ' LEU . 63.9 mt . . . . . 0 CA--C 1.516 -0.365 0 CA-C-O 121.22 0.533 . . . . 0.0 109.742 175.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 m120 . . . . . 0 CA--C 1.52 -0.195 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 p -65.15 -20.21 66.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.517 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.645 ' O ' HD22 ' A' ' 13' ' ' LEU . 44.4 p-90 -60.77 -34.08 73.93 Favored 'General case' 0 C--O 1.198 -1.655 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.799 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.471 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 7.9 mtmt -55.95 -38.16 69.98 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 122.031 0.92 . . . . 0.0 110.73 -177.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -66.7 -33.9 76.66 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 113.835 -1.53 . . . . 0.0 110.234 176.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.645 HD22 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -73.47 -31.53 63.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 122.201 1.0 . . . . 0.0 110.164 172.209 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.595 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 52.3 t80 -80.11 -37.93 32.64 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 114.137 -1.392 . . . . 0.0 112.11 -166.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 20.4 mt -79.81 -14.06 58.97 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -71.78 -38.75 70.28 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 167.203 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.595 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 21.8 mt -63.06 -43.42 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.965 173.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.403 ' OG ' ' HA ' ' A' ' 15' ' ' LEU . 6.1 m -59.05 -44.67 91.84 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.946 175.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -56.31 -56.64 18.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.376 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.0 mt -63.39 -35.4 80.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.524 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.21 -33.84 88.31 Favored Glycine 0 CA--C 1.518 0.281 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.41 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.505 ' O ' HG13 ' A' ' 25' ' ' VAL . 73.8 m -67.38 -24.98 65.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.824 0.345 . . . . 0.0 111.004 177.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -90.39 -42.36 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.338 0.589 . . . . 0.0 110.261 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.584 ' O ' HG12 ' A' ' 24' ' ' VAL . 66.2 t -84.81 12.94 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 122.468 1.128 . . . . 0.0 110.422 -178.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 22' ' ' CYS . 4.2 p -92.16 -26.78 4.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 122.033 0.921 . . . . 0.0 108.522 164.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.8 t -74.74 -50.54 25.41 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.715 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.813 -175.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.727 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -63.58 -17.58 63.0 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.318 -1.31 . . . . 0.0 112.128 -175.265 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.727 ' N ' HD23 ' A' ' 27' ' ' LEU . 69.3 mt . . . . . 0 C--N 1.345 0.395 0 CA-C-O 121.187 0.518 . . . . 0.0 110.383 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.458 0.17 . . . . 0.0 111.453 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.9 t -65.12 -22.72 66.97 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.15 -176.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.649 ' O ' HD21 ' A' ' 13' ' ' LEU . 54.2 p-90 -58.51 -33.38 69.77 Favored 'General case' 0 C--O 1.199 -1.568 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.845 177.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -56.26 -39.8 73.2 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.763 0.792 . . . . 0.0 110.634 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -68.76 -30.52 69.14 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.225 -1.352 . . . . 0.0 110.275 176.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.649 HD21 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -75.77 -30.06 59.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 122.1 0.952 . . . . 0.0 110.182 172.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' TRP . 58.7 t80 -84.97 -41.25 16.03 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 114.337 -1.301 . . . . 0.0 112.26 -164.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.2 mt -77.77 -13.2 59.97 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.454 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -74.76 -43.12 56.52 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 167.388 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.412 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 8.8 mt -61.1 -45.8 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.64 175.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 t -61.15 -42.8 99.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.926 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -63.46 -59.28 4.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.162 -177.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.486 ' N ' HD13 ' A' ' 20' ' ' LEU . 10.9 mp -62.94 -33.93 76.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.77 -30.8 78.72 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.581 -0.819 . . . . 0.0 111.771 175.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.552 ' O ' HG11 ' A' ' 25' ' ' VAL . 49.1 t -76.25 -21.99 55.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.847 0.356 . . . . 0.0 110.523 178.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.538 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 9.5 mtpm? -88.76 -38.75 14.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.477 0.656 . . . . 0.0 110.39 173.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.596 HG11 ' O ' ' A' ' 24' ' ' VAL . 96.9 t -87.05 14.63 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-O 122.539 1.162 . . . . 0.0 110.231 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.552 HG11 ' O ' ' A' ' 22' ' ' CYS . 4.6 p -92.16 -25.52 5.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 164.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.7 t -74.88 -49.04 30.59 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.938 -175.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.71 HD22 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -65.46 -16.93 64.14 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.453 -1.249 . . . . 0.0 112.009 -176.041 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.71 ' N ' HD22 ' A' ' 27' ' ' LEU . 60.0 mt . . . . . 0 CA--C 1.518 -0.276 0 CA-C-O 121.519 0.676 . . . . 0.0 109.312 173.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 p30 . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.765 0.317 . . . . 0.0 111.519 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.8 p -77.41 -3.55 40.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.669 0.271 . . . . 0.0 111.686 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.617 ' O ' HD21 ' A' ' 13' ' ' LEU . 66.5 p-90 -64.51 -31.67 72.98 Favored 'General case' 0 C--O 1.201 -1.462 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.468 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -59.91 -33.73 72.26 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 122.141 0.972 . . . . 0.0 110.594 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -69.62 -33.47 72.7 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.275 -1.329 . . . . 0.0 110.324 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.617 HD21 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -72.38 -29.85 64.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.042 0.925 . . . . 0.0 109.957 171.465 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.581 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 53.8 t80 -72.52 -37.93 68.21 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.348 -1.297 . . . . 0.0 112.062 -166.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.9 mt -79.58 -18.21 52.21 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.514 ' HD2' ' C ' ' A' ' 16' ' ' LYS . 2.2 tmmm? -70.68 -39.44 73.54 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 168.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.581 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 12.1 mt -59.87 -44.34 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.21 174.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.0 m -63.2 -40.9 98.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.288 177.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -63.03 -60.08 3.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.128 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.539 ' O ' HG12 ' A' ' 24' ' ' VAL . 10.8 mp -61.52 -40.16 93.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.531 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.521 ' O ' ' HB ' ' A' ' 25' ' ' VAL . . . -61.85 -27.24 68.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.136 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.516 ' O ' HG12 ' A' ' 25' ' ' VAL . 42.0 t -88.48 -23.86 23.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.56 0.219 . . . . 0.0 111.171 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -90.72 -43.95 9.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.912 0.387 . . . . 0.0 111.288 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 20' ' ' LEU . 2.6 p -83.32 6.08 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.664 0.745 . . . . 0.0 110.513 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.521 ' HB ' ' O ' ' A' ' 21' ' ' GLY . 8.2 p -90.21 -26.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 170.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.97 -50.17 50.49 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.667 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.435 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.719 HD22 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -73.87 -17.73 61.01 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 113.89 -1.504 . . . . 0.0 112.202 -169.872 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.719 ' N ' HD22 ' A' ' 27' ' ' LEU . 66.3 mt . . . . . 0 N--CA 1.467 0.386 0 CA-C-O 121.235 0.54 . . . . 0.0 110.141 173.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 . . . . . 0 CA--C 1.523 -0.09 0 CA-C-O 121.042 0.448 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.5 p -67.18 -29.59 69.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.63 -176.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.636 ' O ' HD23 ' A' ' 13' ' ' LEU . 52.9 p-90 -68.09 -31.37 70.94 Favored 'General case' 0 C--O 1.204 -1.327 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.287 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -55.75 -41.78 74.48 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 122.108 0.956 . . . . 0.0 110.907 -171.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.61 -24.66 66.35 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 113.758 -1.564 . . . . 0.0 110.908 178.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -83.56 -37.03 23.52 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.116 175.3 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.438 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 41.5 t80 -85.37 -37.21 20.13 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 114.064 -1.426 . . . . 0.0 112.007 -166.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.6 mt -76.0 -14.25 60.23 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 1.3 tmtp? -77.37 -40.62 43.21 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 113.909 -1.496 . . . . 0.0 107.696 168.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.438 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 13.4 mt -62.32 -45.0 99.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.745 175.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.9 m -57.72 -41.27 81.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.566 0.698 . . . . 0.0 110.103 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -66.42 -52.3 48.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.693 -1.139 . . . . 0.0 111.37 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.6 mt -73.17 -25.86 60.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.236 0.541 . . . . 0.0 110.309 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.439 ' O ' ' HB ' ' A' ' 25' ' ' VAL . . . -67.86 -22.11 73.64 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.712 174.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.478 ' O ' HG12 ' A' ' 25' ' ' VAL . 89.6 m -76.29 -20.81 56.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.897 0.38 . . . . 0.0 110.637 174.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -91.04 -40.77 11.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.371 0.605 . . . . 0.0 110.428 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.583 HG11 ' O ' ' A' ' 24' ' ' VAL . 58.9 t -89.24 15.33 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 122.558 1.171 . . . . 0.0 110.444 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 22' ' ' CYS . 8.7 p -92.17 -28.84 4.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 163.244 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.0 t -70.68 -52.51 28.01 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.159 -175.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.736 HD22 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -62.57 -19.13 63.39 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.611 -175.564 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.736 ' N ' HD22 ' A' ' 27' ' ' LEU . 3.1 tp . . . . . 0 N--CA 1.446 -0.661 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.067 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.2 t30 . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 121.135 0.493 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -71.84 -5.97 38.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.092 -175.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.64 ' O ' HD22 ' A' ' 13' ' ' LEU . 60.5 p-90 -66.81 -31.23 71.72 Favored 'General case' 0 C--O 1.204 -1.333 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.621 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -58.15 -34.77 70.65 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.701 0.762 . . . . 0.0 110.381 -177.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -65.41 -28.38 69.21 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.16 -1.382 . . . . 0.0 110.733 174.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.64 HD22 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -83.31 -29.16 28.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.773 174.28 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.423 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 57.4 t80 -78.67 -44.83 22.79 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.498 -1.228 . . . . 0.0 112.434 -164.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.8 mt -75.38 -12.38 60.24 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 1.6 tmtp? -77.99 -41.38 36.12 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 114.245 -1.343 . . . . 0.0 107.763 169.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 9.1 mt -62.03 -45.07 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.57 175.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 m -64.18 -23.69 67.41 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.608 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -86.05 -60.55 1.98 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.083 -175.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.407 ' N ' HD11 ' A' ' 20' ' ' LEU . 9.7 mp -70.02 -32.92 71.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.371 -177.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.41 -15.4 63.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.225 -0.988 . . . . 0.0 111.567 175.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.527 ' O ' HG13 ' A' ' 25' ' ' VAL . 44.6 t -88.51 -26.61 21.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.834 0.35 . . . . 0.0 110.097 176.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -89.48 -34.96 16.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.218 0.532 . . . . 0.0 110.613 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 24' ' ' VAL . 65.7 t -86.47 14.24 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 122.598 1.19 . . . . 0.0 109.911 178.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 22' ' ' CYS . 1.1 p -91.97 -27.99 4.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 164.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.9 t -73.18 -49.86 35.36 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.747 0 CA-C-N 113.939 -1.482 . . . . 0.0 110.851 -175.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.712 HD21 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -63.84 -18.14 63.85 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.539 -1.209 . . . . 0.0 112.101 -175.212 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.712 ' N ' HD21 ' A' ' 27' ' ' LEU . 62.5 mt . . . . . 0 CA--C 1.515 -0.395 0 CA-C-O 121.181 0.515 . . . . 0.0 109.849 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 120.729 0.3 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.66 -14.49 28.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.912 0.387 . . . . 0.0 111.268 -177.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.6 p -78.4 80.55 4.79 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.485 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -128.43 26.15 5.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.759 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 62.05 49.74 4.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.806 -175.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 58.18 43.27 95.44 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.686 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -116.22 104.99 12.06 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.426 0.155 . . . . 0.0 110.891 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.0 m120 69.64 -66.43 0.26 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.612 0.765 . . . . 0.0 112.7 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.2 m -68.29 -2.18 7.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -172.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.666 ' O ' HD23 ' A' ' 13' ' ' LEU . 61.7 p-90 -70.97 -31.16 67.64 Favored 'General case' 0 C--O 1.204 -1.322 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.539 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -59.7 -34.23 72.62 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.394 -0.816 . . . . 0.0 110.787 -176.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.55 -32.49 73.46 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.23 -1.35 . . . . 0.0 110.386 173.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -80.66 -29.16 36.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.438 174.379 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -74.49 -43.41 56.09 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.723 -1.126 . . . . 0.0 112.663 -166.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.5 mt -74.2 -14.52 60.95 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.777 0.799 . . . . 0.0 108.884 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 12.4 tmtt? -77.39 -39.33 47.58 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 114.348 -1.296 . . . . 0.0 107.888 170.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.4 mt -63.93 -41.17 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.801 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.9 t -66.03 -34.05 77.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.167 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -75.32 -59.44 2.74 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.019 -177.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 mp -68.8 -24.49 64.41 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.409 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.06 -38.57 95.77 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.073 -1.06 . . . . 0.0 110.984 173.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.511 ' O ' HG12 ' A' ' 25' ' ' VAL . 53.7 t -75.08 -28.84 60.47 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.46 176.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' O ' ' HB ' ' A' ' 26' ' ' VAL . 61.8 tttm -82.44 -27.21 32.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.053 0.454 . . . . 0.0 110.877 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.625 ' O ' HG12 ' A' ' 24' ' ' VAL . 94.9 t -89.51 14.15 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 122.944 1.354 . . . . 0.0 109.582 175.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.511 HG12 ' O ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -91.18 -29.54 4.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 161.012 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.441 ' HB ' ' O ' ' A' ' 23' ' ' LYS . 94.8 t -72.32 -51.04 31.67 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.886 0 CA-C-N 113.985 -1.461 . . . . 0.0 111.363 -173.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.616 HD21 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -60.44 -17.67 46.11 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.776 -177.148 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.616 ' N ' HD21 ' A' ' 27' ' ' LEU . 88.6 mt -68.41 -42.64 78.71 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.308 0.575 . . . . 0.0 109.709 172.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.36 -37.94 24.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.633 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.633 -0.699 . . . . 0.0 110.632 -177.199 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.7 mtp . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 120.81 0.338 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.62 30.95 2.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.358 0.599 . . . . 0.0 110.048 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.8 m -86.39 123.57 31.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.4 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -70.16 110.41 5.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.2 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -85.04 119.81 25.85 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.061 176.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.7 -42.55 1.37 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.359 177.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt 54.81 -92.23 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.083 0.553 . . . . 0.0 112.292 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -121.82 -15.55 7.86 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.206 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.8 t -76.66 -18.52 58.52 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 122.23 -0.294 . . . . 0.0 111.001 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.608 ' O ' HD22 ' A' ' 13' ' ' LEU . 61.6 p-90 -55.9 -31.8 63.18 Favored 'General case' 0 C--O 1.203 -1.349 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.117 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -56.75 -39.32 73.78 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 122.295 1.045 . . . . 0.0 110.974 -174.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.09 -30.97 67.22 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 113.548 -1.66 . . . . 0.0 110.341 178.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.608 HD22 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -73.05 -30.34 63.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.837 171.723 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 10' ' ' TRP . 58.7 t80 -76.7 -39.03 53.31 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 114.065 -1.425 . . . . 0.0 111.516 -168.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 tp -72.88 -22.19 60.8 Favored 'General case' 0 N--CA 1.405 -2.676 0 CA-C-O 121.824 0.821 . . . . 0.0 109.623 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.471 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 1.2 tmtp? -75.46 -38.06 59.88 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 114.365 -1.289 . . . . 0.0 108.446 169.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.422 ' HB ' ' HA ' ' A' ' 14' ' ' TYR . 6.6 mt -62.99 -40.83 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.707 176.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.5 t -69.91 -19.59 63.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.266 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.409 ' CE2' ' HD2' ' A' ' 23' ' ' LYS . 48.1 t80 -88.74 -60.29 2.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.769 -177.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.432 HD11 ' HG2' ' A' ' 16' ' ' LYS . 8.5 mp -72.1 -25.67 61.84 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.063 -178.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.53 -32.61 84.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.077 -1.058 . . . . 0.0 110.852 171.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.566 ' O ' HG13 ' A' ' 25' ' ' VAL . 45.8 t -80.52 -15.47 56.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.259 -0.47 . . . . 0.0 110.192 177.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HD2' ' CE2' ' A' ' 19' ' ' PHE . 30.0 mtpp -90.03 -33.58 16.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.341 0.591 . . . . 0.0 110.341 174.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.624 HG11 ' O ' ' A' ' 24' ' ' VAL . 85.0 t -89.96 14.35 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 122.748 1.261 . . . . 0.0 109.744 176.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 22' ' ' CYS . 1.2 p -92.28 -25.96 5.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 161.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.1 t -74.98 -49.44 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 CA-C-N 114.271 -1.331 . . . . 0.0 111.21 -174.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.616 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -61.92 -16.49 51.23 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.361 -178.016 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.616 ' N ' HD23 ' A' ' 27' ' ' LEU . 85.2 mt -76.13 -42.23 47.51 Favored 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.706 172.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -70.99 -33.06 70.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.251 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 . . . . . 0 C--O 1.248 0.977 0 O-C-N 124.022 0.826 . . . . 0.0 111.434 -179.552 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.7 mtp . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 120.724 0.297 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.33 -11.58 23.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.397 0.618 . . . . 0.0 110.838 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 p -112.96 146.11 39.61 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.316 177.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -92.93 126.03 37.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.705 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -88.57 6.01 40.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.517 0.675 . . . . 0.0 109.771 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.61 -23.96 71.51 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 174.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -68.02 151.2 47.43 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -124.63 -42.06 2.1 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.706 0.288 . . . . 0.0 111.482 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.1 m -70.43 -1.65 11.39 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -171.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.664 ' O ' HD22 ' A' ' 13' ' ' LEU . 61.3 p-90 -75.69 -31.25 59.62 Favored 'General case' 0 C--O 1.202 -1.434 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.422 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -59.81 -34.31 72.88 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.785 0.802 . . . . 0.0 110.571 -176.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -65.33 -26.8 68.21 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.613 174.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.664 HD22 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -84.94 -27.45 26.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.059 173.849 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.537 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 53.7 t80 -75.99 -40.34 53.97 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.623 -1.171 . . . . 0.0 112.141 -166.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -78.77 -17.17 56.2 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 11.9 tmtt? -73.59 -36.18 65.5 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.637 -1.165 . . . . 0.0 107.892 168.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.537 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 6.5 mt -63.35 -36.34 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 115.03 -0.987 . . . . 0.0 110.297 174.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.0 t -63.22 -41.39 99.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.376 0.607 . . . . 0.0 109.922 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -64.46 -59.38 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.847 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mp -67.3 -26.58 66.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.965 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.89 -31.91 82.39 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.38 173.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.47 ' O ' HG13 ' A' ' 25' ' ' VAL . 44.9 t -76.34 -23.95 54.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.896 0.379 . . . . 0.0 110.316 176.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -81.86 -31.81 31.38 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.366 0.603 . . . . 0.0 110.177 174.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.633 HG13 ' O ' ' A' ' 24' ' ' VAL . 92.6 t -84.16 14.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 122.817 1.294 . . . . 0.0 110.024 175.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -91.94 -27.5 4.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 162.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.0 t -76.74 -49.71 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.632 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.155 -173.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.668 HD21 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -60.5 -16.65 39.12 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.487 -178.74 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.668 ' N ' HD21 ' A' ' 27' ' ' LEU . 83.7 mt -73.52 -43.38 60.14 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.143 0.497 . . . . 0.0 109.868 173.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -67.81 -40.62 83.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.791 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 . . . . . 0 C--O 1.25 1.107 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.329 -179.472 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptt? . . . . . 0 N--CA 1.484 1.261 0 CA-C-O 120.517 0.199 . . . . 0.0 111.457 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.93 18.88 10.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.204 0.526 . . . . 0.0 110.888 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.3 m -82.92 132.98 35.13 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.36 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -76.7 74.99 3.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.67 0.272 . . . . 0.0 110.397 177.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.7 t60 59.24 75.06 0.42 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.56 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.22 11.78 0.16 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.85 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -122.72 64.2 0.97 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.054 0.454 . . . . 0.0 110.986 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -140.6 -50.55 0.46 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.954 0.407 . . . . 0.0 111.101 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 t -69.82 -11.86 61.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.063 -173.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.582 ' O ' HD23 ' A' ' 13' ' ' LEU . 55.8 p-90 -63.26 -31.93 73.21 Favored 'General case' 0 C--O 1.2 -1.542 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.203 176.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 41.0 mtmt -58.35 -33.54 69.66 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.767 0.794 . . . . 0.0 110.83 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -65.72 -37.2 85.74 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.401 -1.272 . . . . 0.0 110.223 174.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -69.9 -34.36 73.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 122.054 0.931 . . . . 0.0 109.94 171.649 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.521 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 50.7 t80 -74.5 -40.29 61.9 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 114.383 -1.28 . . . . 0.0 112.319 -166.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 14.3 mt -80.62 -9.92 59.76 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 121.805 0.812 . . . . 0.0 109.01 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.522 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 1.2 tmtp? -77.72 -39.6 44.02 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 166.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.521 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 20.1 mt -63.13 -47.63 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.455 175.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 t -60.82 -37.64 82.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.033 178.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -65.25 -58.54 5.69 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.226 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.72 -35.71 80.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.295 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.85 -34.47 88.87 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.253 177.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.572 ' O ' HG13 ' A' ' 25' ' ' VAL . 52.9 t -70.92 -22.89 62.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.61 0.243 . . . . 0.0 110.848 177.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.428 ' O ' ' HB ' ' A' ' 26' ' ' VAL . 28.7 ttpp -91.31 -34.07 15.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.315 0.579 . . . . 0.0 110.3 177.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 24' ' ' VAL . 87.1 t -90.17 13.8 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 122.604 1.192 . . . . 0.0 110.1 177.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 22' ' ' CYS . 2.4 p -92.03 -24.06 5.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 161.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 30' ' ' ARG . 94.0 t -77.11 -51.48 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.678 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.318 -174.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.654 HD22 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -58.61 -17.05 18.84 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.113 -179.609 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.654 ' N ' HD22 ' A' ' 27' ' ' LEU . 84.1 mt -82.11 -65.06 1.06 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.832 174.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.568 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -140.37 14.36 2.38 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -174.011 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.468 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 84.4 mtm180 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 119.017 -0.515 . . . . 0.0 111.407 -177.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.7 42.0 31.53 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.499 0.499 . . . . 0.0 111.063 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m 58.11 46.9 15.4 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.516 0.674 . . . . 0.0 110.614 -178.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt 59.27 29.75 19.37 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.375 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 70.34 5.11 5.2 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.234 178.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.14 -161.21 48.8 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -178.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 54.64 58.12 5.15 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 121.456 0.646 . . . . 0.0 110.163 178.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -119.97 -6.54 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.132 -177.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.0 m -65.4 -30.67 71.51 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.965 0.412 . . . . 0.0 111.322 -175.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.613 ' O ' HD21 ' A' ' 13' ' ' LEU . 49.8 p-90 -61.18 -34.51 75.17 Favored 'General case' 0 C--O 1.202 -1.44 0 CA-C-N 115.947 -0.569 . . . . 0.0 112.283 -176.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.462 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 50.4 mtpt -56.01 -40.48 73.46 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 122.049 0.928 . . . . 0.0 111.4 -171.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.95 -36.86 78.41 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.234 178.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.613 HD21 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -63.82 -35.27 80.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 122.188 0.994 . . . . 0.0 109.917 170.494 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.46 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 67.1 t80 -75.41 -44.42 44.66 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.946 -1.479 . . . . 0.0 112.004 -167.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 15.1 mt -73.71 -14.07 61.08 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 12.3 tmtt? -78.24 -39.51 40.08 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.717 -1.129 . . . . 0.0 108.085 169.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.46 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 10.6 mt -61.76 -45.29 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.23 174.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 m -63.13 -28.77 70.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.399 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -74.53 -60.31 2.34 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.722 -176.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 20' ' ' LEU . 10.1 mp -67.38 -26.72 66.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.818 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.16 -24.13 74.69 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.321 173.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.606 ' O ' HG12 ' A' ' 25' ' ' VAL . 42.1 t -84.38 -18.15 37.03 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 176.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -88.42 -39.67 14.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.438 0.637 . . . . 0.0 110.006 175.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.594 HG11 ' O ' ' A' ' 24' ' ' VAL . 81.1 t -86.93 14.07 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 122.527 1.156 . . . . 0.0 110.225 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 22' ' ' CYS . 2.9 p -92.48 -26.4 4.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 164.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.7 t -75.58 -49.73 25.94 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.692 0 CA-C-N 114.256 -1.338 . . . . 0.0 110.751 -174.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.724 HD22 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -63.36 -17.42 62.59 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.562 -1.199 . . . . 0.0 112.014 -176.064 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.724 ' N ' HD22 ' A' ' 27' ' ' LEU . 63.9 mt -96.28 -27.13 15.12 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.22 0.533 . . . . 0.0 109.742 175.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 66.93 23.04 9.97 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.04 -176.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 . . . . . 0 C--O 1.25 1.119 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.675 -175.773 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.72 52.87 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.123 0.487 . . . . 0.0 110.195 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.2 m -80.76 61.01 4.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.691 0.758 . . . . 0.0 110.73 -177.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -79.42 96.23 5.98 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.95 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 57.64 53.3 7.37 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.577 0.703 . . . . 0.0 109.262 -173.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.32 -51.07 4.32 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.043 -177.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' A' ' 7' ' ' LYS . 36.8 tptt 53.01 22.24 2.38 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.074 0.95 . . . . 0.0 112.466 -177.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -147.53 -49.12 0.18 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.599 177.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 p -65.15 -20.21 66.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.517 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.645 ' O ' HD22 ' A' ' 13' ' ' LEU . 44.4 p-90 -60.77 -34.08 73.93 Favored 'General case' 0 C--O 1.198 -1.655 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.799 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 7.9 mtmt -55.95 -38.16 69.98 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 122.031 0.92 . . . . 0.0 110.73 -177.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -66.7 -33.9 76.66 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 113.835 -1.53 . . . . 0.0 110.234 176.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.645 HD22 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -73.47 -31.53 63.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 122.201 1.0 . . . . 0.0 110.164 172.209 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.595 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 52.3 t80 -80.11 -37.93 32.64 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 114.137 -1.392 . . . . 0.0 112.11 -166.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 20.4 mt -79.81 -14.06 58.97 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -71.78 -38.75 70.28 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 167.203 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.595 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 21.8 mt -63.06 -43.42 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.965 173.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.403 ' OG ' ' HA ' ' A' ' 15' ' ' LEU . 6.1 m -59.05 -44.67 91.84 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.946 175.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -56.31 -56.64 18.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.376 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.0 mt -63.39 -35.4 80.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.524 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.21 -33.84 88.31 Favored Glycine 0 CA--C 1.518 0.281 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.41 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.505 ' O ' HG13 ' A' ' 25' ' ' VAL . 73.8 m -67.38 -24.98 65.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.824 0.345 . . . . 0.0 111.004 177.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -90.39 -42.36 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.338 0.589 . . . . 0.0 110.261 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.584 ' O ' HG12 ' A' ' 24' ' ' VAL . 66.2 t -84.81 12.94 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 122.468 1.128 . . . . 0.0 110.422 -178.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 22' ' ' CYS . 4.2 p -92.16 -26.78 4.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 122.033 0.921 . . . . 0.0 108.522 164.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.8 t -74.74 -50.54 25.41 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.715 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.813 -175.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.727 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -63.58 -17.58 63.0 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.318 -1.31 . . . . 0.0 112.128 -175.265 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.727 ' N ' HD23 ' A' ' 27' ' ' LEU . 69.3 mt -100.33 -27.22 13.59 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-O 121.187 0.518 . . . . 0.0 110.383 175.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 68.02 24.89 7.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.02 -176.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.074 -177.395 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.1 mtm . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.58 40.3 3.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.398 0.618 . . . . 0.0 110.004 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.4 m -80.64 130.85 35.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.919 -177.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -100.44 102.96 14.3 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.738 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -92.79 8.53 39.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.143 0.497 . . . . 0.0 110.518 -177.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.84 -58.06 2.92 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.757 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.445 ' HZ2' ' HB2' ' A' ' 7' ' ' LYS . 0.1 OUTLIER 52.2 36.2 18.68 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 123.051 0.54 . . . . 0.0 111.78 -176.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -157.2 -43.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.453 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.9 t -65.12 -22.72 66.97 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.15 -176.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.649 ' O ' HD21 ' A' ' 13' ' ' LEU . 54.2 p-90 -58.51 -33.38 69.77 Favored 'General case' 0 C--O 1.199 -1.568 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.845 177.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -56.26 -39.8 73.2 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.763 0.792 . . . . 0.0 110.634 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -68.76 -30.52 69.14 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.225 -1.352 . . . . 0.0 110.275 176.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.649 HD21 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -75.77 -30.06 59.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 122.1 0.952 . . . . 0.0 110.182 172.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' TRP . 58.7 t80 -84.97 -41.25 16.03 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 114.337 -1.301 . . . . 0.0 112.26 -164.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.2 mt -77.77 -13.2 59.97 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.454 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -74.76 -43.12 56.52 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 167.388 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.412 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 8.8 mt -61.1 -45.8 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.64 175.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 t -61.15 -42.8 99.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.926 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -63.46 -59.28 4.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.162 -177.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.486 ' N ' HD13 ' A' ' 20' ' ' LEU . 10.9 mp -62.94 -33.93 76.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.77 -30.8 78.72 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.581 -0.819 . . . . 0.0 111.771 175.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.552 ' O ' HG11 ' A' ' 25' ' ' VAL . 49.1 t -76.25 -21.99 55.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.847 0.356 . . . . 0.0 110.523 178.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.538 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 9.5 mtpm? -88.76 -38.75 14.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.477 0.656 . . . . 0.0 110.39 173.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.596 HG11 ' O ' ' A' ' 24' ' ' VAL . 96.9 t -87.05 14.63 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-O 122.539 1.162 . . . . 0.0 110.231 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.552 HG11 ' O ' ' A' ' 22' ' ' CYS . 4.6 p -92.16 -25.52 5.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 164.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.7 t -74.88 -49.04 30.59 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.938 -175.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.71 HD22 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -65.46 -16.93 64.14 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.453 -1.249 . . . . 0.0 112.009 -176.041 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.71 ' N ' HD22 ' A' ' 27' ' ' LEU . 60.0 mt -100.15 -24.57 14.54 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.519 0.676 . . . . 0.0 109.312 173.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.516 ' HB2' ' HZ3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER 65.66 29.89 10.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 113.988 -1.46 . . . . 0.0 109.864 -178.655 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.393 -0.813 . . . . 0.0 110.591 -174.254 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.932 0.396 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.81 50.78 1.7 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.137 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.5 m 68.45 112.81 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.112 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.531 ' HB3' ' HZ1' ' A' ' 4' ' ' LYS . 7.7 ttpm? -99.09 89.99 4.45 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.45 0.643 . . . . 0.0 109.585 -179.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -135.59 95.19 3.21 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.285 -174.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.25 22.35 13.17 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.584 -176.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -117.6 71.9 0.83 Allowed 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -159.71 -41.37 0.05 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.519 -177.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.8 p -77.41 -3.55 40.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.669 0.271 . . . . 0.0 111.686 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.617 ' O ' HD21 ' A' ' 13' ' ' LEU . 66.5 p-90 -64.51 -31.67 72.98 Favored 'General case' 0 C--O 1.201 -1.462 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.468 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -59.91 -33.73 72.26 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 122.141 0.972 . . . . 0.0 110.594 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -69.62 -33.47 72.7 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.275 -1.329 . . . . 0.0 110.324 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.617 HD21 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -72.38 -29.85 64.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.042 0.925 . . . . 0.0 109.957 171.465 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.581 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 53.8 t80 -72.52 -37.93 68.21 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.348 -1.297 . . . . 0.0 112.062 -166.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.9 mt -79.58 -18.21 52.21 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.514 ' HD2' ' C ' ' A' ' 16' ' ' LYS . 2.2 tmmm? -70.68 -39.44 73.54 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 168.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.581 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 12.1 mt -59.87 -44.34 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.21 174.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.0 m -63.2 -40.9 98.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.288 177.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -63.03 -60.08 3.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.128 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.539 ' O ' HG12 ' A' ' 24' ' ' VAL . 10.8 mp -61.52 -40.16 93.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.531 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.521 ' O ' ' HB ' ' A' ' 25' ' ' VAL . . . -61.85 -27.24 68.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.136 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.516 ' O ' HG12 ' A' ' 25' ' ' VAL . 42.0 t -88.48 -23.86 23.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.56 0.219 . . . . 0.0 111.171 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -90.72 -43.95 9.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.912 0.387 . . . . 0.0 111.288 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 20' ' ' LEU . 2.6 p -83.32 6.08 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.664 0.745 . . . . 0.0 110.513 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.521 ' HB ' ' O ' ' A' ' 21' ' ' GLY . 8.2 p -90.21 -26.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 170.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.97 -50.17 50.49 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.667 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.435 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.719 HD22 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -73.87 -17.73 61.01 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 113.89 -1.504 . . . . 0.0 112.202 -169.872 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.719 ' N ' HD22 ' A' ' 27' ' ' LEU . 66.3 mt -101.68 -27.54 13.0 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.235 0.54 . . . . 0.0 110.141 173.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp 69.46 30.93 3.93 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 114.441 -1.254 . . . . 0.0 109.234 -170.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 . . . . . 0 C--O 1.25 1.109 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.28 -178.106 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptp . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 120.85 0.357 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.65 57.23 4.28 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.238 0.542 . . . . 0.0 110.095 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 m -78.85 139.26 38.37 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.514 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -74.38 98.13 3.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.369 0.604 . . . . 0.0 110.182 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -139.86 90.83 2.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.814 -176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.35 24.23 1.09 Allowed Glycine 0 N--CA 1.441 -0.97 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.411 ' HB3' ' HZ1' ' A' ' 7' ' ' LYS . 0.4 OUTLIER 50.26 56.58 7.71 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.784 -0.708 . . . . 0.0 110.937 -175.773 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -115.32 7.34 15.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.584 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.5 p -67.18 -29.59 69.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.63 -176.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.636 ' O ' HD23 ' A' ' 13' ' ' LEU . 52.9 p-90 -68.09 -31.37 70.94 Favored 'General case' 0 C--O 1.204 -1.327 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.287 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -55.75 -41.78 74.48 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 122.108 0.956 . . . . 0.0 110.907 -171.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.61 -24.66 66.35 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 113.758 -1.564 . . . . 0.0 110.908 178.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -83.56 -37.03 23.52 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.116 175.3 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.438 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 41.5 t80 -85.37 -37.21 20.13 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 114.064 -1.426 . . . . 0.0 112.007 -166.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.6 mt -76.0 -14.25 60.23 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 1.3 tmtp? -77.37 -40.62 43.21 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 113.909 -1.496 . . . . 0.0 107.696 168.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.438 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 13.4 mt -62.32 -45.0 99.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.745 175.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.9 m -57.72 -41.27 81.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.566 0.698 . . . . 0.0 110.103 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -66.42 -52.3 48.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.693 -1.139 . . . . 0.0 111.37 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.6 mt -73.17 -25.86 60.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.236 0.541 . . . . 0.0 110.309 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.439 ' O ' ' HB ' ' A' ' 25' ' ' VAL . . . -67.86 -22.11 73.64 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.712 174.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.478 ' O ' HG12 ' A' ' 25' ' ' VAL . 89.6 m -76.29 -20.81 56.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.897 0.38 . . . . 0.0 110.637 174.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -91.04 -40.77 11.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.371 0.605 . . . . 0.0 110.428 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.583 HG11 ' O ' ' A' ' 24' ' ' VAL . 58.9 t -89.24 15.33 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 122.558 1.171 . . . . 0.0 110.444 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 22' ' ' CYS . 8.7 p -92.17 -28.84 4.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 163.244 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.0 t -70.68 -52.51 28.01 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.159 -175.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.736 HD22 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -62.57 -19.13 63.39 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.611 -175.564 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.736 ' N ' HD22 ' A' ' 27' ' ' LEU . 3.1 tp -102.22 -27.37 12.91 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.067 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? 64.73 34.52 9.5 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.492 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.37 179.748 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.76 101.52 9.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.086 0.469 . . . . 0.0 111.261 -176.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.5 m -84.64 -7.98 59.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.999 0.904 . . . . 0.0 109.778 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -100.84 88.8 3.66 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.762 -1.108 . . . . 0.0 109.776 176.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -124.93 -54.5 1.62 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.738 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -141.94 -30.01 0.15 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.362 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -78.06 85.1 4.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.036 0.446 . . . . 0.0 110.986 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -155.47 -47.43 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.439 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -71.84 -5.97 38.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.092 -175.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.64 ' O ' HD22 ' A' ' 13' ' ' LEU . 60.5 p-90 -66.81 -31.23 71.72 Favored 'General case' 0 C--O 1.204 -1.333 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.621 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -58.15 -34.77 70.65 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.701 0.762 . . . . 0.0 110.381 -177.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -65.41 -28.38 69.21 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.16 -1.382 . . . . 0.0 110.733 174.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.64 HD22 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -83.31 -29.16 28.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.773 174.28 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.423 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 57.4 t80 -78.67 -44.83 22.79 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.498 -1.228 . . . . 0.0 112.434 -164.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.8 mt -75.38 -12.38 60.24 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 1.6 tmtp? -77.99 -41.38 36.12 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 114.245 -1.343 . . . . 0.0 107.763 169.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 9.1 mt -62.03 -45.07 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.57 175.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 m -64.18 -23.69 67.41 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.608 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -86.05 -60.55 1.98 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.083 -175.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.407 ' N ' HD11 ' A' ' 20' ' ' LEU . 9.7 mp -70.02 -32.92 71.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.371 -177.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.41 -15.4 63.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.225 -0.988 . . . . 0.0 111.567 175.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.527 ' O ' HG13 ' A' ' 25' ' ' VAL . 44.6 t -88.51 -26.61 21.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.834 0.35 . . . . 0.0 110.097 176.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -89.48 -34.96 16.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.218 0.532 . . . . 0.0 110.613 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 24' ' ' VAL . 65.7 t -86.47 14.24 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 122.598 1.19 . . . . 0.0 109.911 178.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 22' ' ' CYS . 1.1 p -91.97 -27.99 4.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 164.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.9 t -73.18 -49.86 35.36 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.747 0 CA-C-N 113.939 -1.482 . . . . 0.0 110.851 -175.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.712 HD21 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -63.84 -18.14 63.85 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.539 -1.209 . . . . 0.0 112.101 -175.212 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.712 ' N ' HD21 ' A' ' 27' ' ' LEU . 62.5 mt -95.58 -23.59 16.99 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.181 0.515 . . . . 0.0 109.849 176.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt 67.82 34.42 4.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 114.384 -1.28 . . . . 0.0 109.747 -175.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.91 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.438 -176.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.0 m120 . . . . . 0 N--CA 1.472 0.647 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.2 m -68.29 -2.18 7.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -172.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.641 ' O ' HD23 ' A' ' 13' ' ' LEU . 61.7 p-90 -70.97 -31.16 67.64 Favored 'General case' 0 C--O 1.204 -1.322 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.539 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -59.7 -34.23 72.62 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.394 -0.816 . . . . 0.0 110.787 -176.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.55 -32.49 73.46 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.23 -1.35 . . . . 0.0 110.386 173.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -80.66 -29.16 36.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.438 174.379 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.407 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 56.8 t80 -74.49 -43.41 56.09 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.723 -1.126 . . . . 0.0 112.663 -166.068 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.5 mt -74.2 -14.52 60.95 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.777 0.799 . . . . 0.0 108.884 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 12.4 tmtt? -77.39 -39.33 47.58 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 114.348 -1.296 . . . . 0.0 107.888 170.287 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.407 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 7.4 mt -63.93 -41.17 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.801 176.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.9 t -66.03 -34.05 77.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.167 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -75.32 -59.44 2.74 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.019 -177.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.435 HD22 ' HE2' ' A' ' 16' ' ' LYS . 8.0 mp -68.8 -24.49 64.41 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.409 -177.131 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.06 -38.57 95.77 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.073 -1.06 . . . . 0.0 110.984 173.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.477 ' O ' HG12 ' A' ' 25' ' ' VAL . 53.7 t -75.08 -28.84 60.47 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.46 176.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.435 ' O ' ' HB ' ' A' ' 26' ' ' VAL . 61.8 tttm -82.44 -27.21 32.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.053 0.454 . . . . 0.0 110.877 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.656 ' HA ' HD22 ' A' ' 27' ' ' LEU . 94.9 t -89.51 14.15 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 122.944 1.354 . . . . 0.0 109.582 175.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -91.18 -29.54 4.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 161.012 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.435 ' HB ' ' O ' ' A' ' 23' ' ' LYS . 94.8 t -72.32 -51.04 31.67 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.886 0 CA-C-N 113.985 -1.461 . . . . 0.0 111.363 -173.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.783 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -60.44 -17.67 46.11 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.776 -177.148 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.783 ' N ' HD23 ' A' ' 27' ' ' LEU . 88.6 mt . . . . . 0 C--O 1.233 0.234 0 CA-C-O 121.308 0.575 . . . . 0.0 109.709 172.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 120.838 0.351 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.8 t -76.66 -18.52 58.52 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 122.23 -0.294 . . . . 0.0 111.001 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.615 ' O ' HD23 ' A' ' 13' ' ' LEU . 61.6 p-90 -55.9 -31.8 63.18 Favored 'General case' 0 C--O 1.203 -1.349 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.117 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -56.75 -39.32 73.78 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 122.295 1.045 . . . . 0.0 110.974 -174.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.09 -30.97 67.22 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 113.548 -1.66 . . . . 0.0 110.341 178.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -73.05 -30.34 63.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.837 171.723 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.475 ' HA ' ' HB ' ' A' ' 17' ' ' ILE . 58.7 t80 -76.7 -39.03 53.31 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 114.065 -1.425 . . . . 0.0 111.516 -168.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 tp -72.88 -22.19 60.8 Favored 'General case' 0 N--CA 1.405 -2.676 0 CA-C-O 121.824 0.821 . . . . 0.0 109.623 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.468 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 1.2 tmtp? -75.46 -38.06 59.88 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 114.365 -1.289 . . . . 0.0 108.446 169.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.475 ' HB ' ' HA ' ' A' ' 14' ' ' TYR . 6.6 mt -62.99 -40.83 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.707 176.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.5 t -69.91 -19.59 63.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.266 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.469 ' HD2' HD12 ' A' ' 20' ' ' LEU . 48.1 t80 -88.74 -60.29 2.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.769 -177.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.469 HD12 ' HD2' ' A' ' 19' ' ' PHE . 8.5 mp -72.1 -25.67 61.84 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.063 -178.097 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.53 -32.61 84.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.077 -1.058 . . . . 0.0 110.852 171.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.555 ' O ' HG12 ' A' ' 25' ' ' VAL . 45.8 t -80.52 -15.47 56.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.259 -0.47 . . . . 0.0 110.192 177.056 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.426 ' HD2' ' CE2' ' A' ' 19' ' ' PHE . 30.0 mtpp -90.03 -33.58 16.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.341 0.591 . . . . 0.0 110.341 174.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.651 ' HA ' HD22 ' A' ' 27' ' ' LEU . 85.0 t -89.96 14.35 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 122.748 1.261 . . . . 0.0 109.744 176.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 22' ' ' CYS . 1.2 p -92.28 -25.96 5.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 161.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.1 t -74.98 -49.44 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 CA-C-N 114.271 -1.331 . . . . 0.0 111.21 -174.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.76 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -61.92 -16.49 51.23 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.361 -178.016 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.76 ' N ' HD23 ' A' ' 27' ' ' LEU . 85.2 mt . . . . . 0 N--CA 1.457 -0.091 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.706 172.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.706 0.288 . . . . 0.0 111.482 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.1 m -70.43 -1.65 11.39 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -171.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.641 ' O ' HD23 ' A' ' 13' ' ' LEU . 61.3 p-90 -75.69 -31.25 59.62 Favored 'General case' 0 C--O 1.202 -1.434 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.422 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -59.81 -34.31 72.88 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.785 0.802 . . . . 0.0 110.571 -176.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -65.33 -26.8 68.21 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.613 174.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -84.94 -27.45 26.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.059 173.849 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.551 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 53.7 t80 -75.99 -40.34 53.97 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.623 -1.171 . . . . 0.0 112.141 -166.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -78.77 -17.17 56.2 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 11.9 tmtt? -73.59 -36.18 65.5 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.637 -1.165 . . . . 0.0 107.892 168.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.551 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 6.5 mt -63.35 -36.34 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 115.03 -0.987 . . . . 0.0 110.297 174.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.0 t -63.22 -41.39 99.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.376 0.607 . . . . 0.0 109.922 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -64.46 -59.38 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.847 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mp -67.3 -26.58 66.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.965 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.89 -31.91 82.39 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.38 173.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.438 ' O ' HG12 ' A' ' 25' ' ' VAL . 44.9 t -76.34 -23.95 54.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.896 0.379 . . . . 0.0 110.316 176.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -81.86 -31.81 31.38 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.366 0.603 . . . . 0.0 110.177 174.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.634 ' HA ' HD22 ' A' ' 27' ' ' LEU . 92.6 t -84.16 14.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 122.817 1.294 . . . . 0.0 110.024 175.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -91.94 -27.5 4.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 162.867 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.0 t -76.74 -49.71 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.632 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.155 -173.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.809 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -60.5 -16.65 39.12 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.487 -178.74 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.809 ' N ' HD23 ' A' ' 27' ' ' LEU . 83.7 mt . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 121.143 0.497 . . . . 0.0 109.868 173.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.6 t30 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.954 0.407 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 t -69.82 -11.86 61.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.063 -173.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.594 ' O ' HD23 ' A' ' 13' ' ' LEU . 55.8 p-90 -63.26 -31.93 73.21 Favored 'General case' 0 C--O 1.2 -1.542 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.203 176.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 41.0 mtmt -58.35 -33.54 69.66 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.767 0.794 . . . . 0.0 110.83 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -65.72 -37.2 85.74 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.401 -1.272 . . . . 0.0 110.223 174.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -69.9 -34.36 73.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 122.054 0.931 . . . . 0.0 109.94 171.649 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.525 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 50.7 t80 -74.5 -40.29 61.9 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 114.383 -1.28 . . . . 0.0 112.319 -166.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 14.3 mt -80.62 -9.92 59.76 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 121.805 0.812 . . . . 0.0 109.01 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.522 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 1.2 tmtp? -77.72 -39.6 44.02 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 166.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.525 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 20.1 mt -63.13 -47.63 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.455 175.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 t -60.82 -37.64 82.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.033 178.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -65.25 -58.54 5.69 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.226 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.72 -35.71 80.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.295 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.85 -34.47 88.87 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.253 177.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.58 ' O ' HG12 ' A' ' 25' ' ' VAL . 52.9 t -70.92 -22.89 62.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.61 0.243 . . . . 0.0 110.848 177.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.422 ' O ' ' HB ' ' A' ' 26' ' ' VAL . 28.7 ttpp -91.31 -34.07 15.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.315 0.579 . . . . 0.0 110.3 177.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.658 ' HA ' HD22 ' A' ' 27' ' ' LEU . 87.1 t -90.17 13.8 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 122.604 1.192 . . . . 0.0 110.1 177.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 22' ' ' CYS . 2.4 p -92.03 -24.06 5.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 161.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.422 ' HB ' ' O ' ' A' ' 23' ' ' LYS . 94.0 t -77.11 -51.48 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.678 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.318 -174.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.792 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -58.61 -17.05 18.84 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.113 -179.609 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.792 ' N ' HD23 ' A' ' 27' ' ' LEU . 84.1 mt . . . . . 0 N--CA 1.454 -0.243 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.832 174.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.566 0.222 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.0 m -65.4 -30.67 71.51 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.965 0.412 . . . . 0.0 111.322 -175.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.58 ' O ' HD23 ' A' ' 13' ' ' LEU . 49.8 p-90 -61.18 -34.51 75.17 Favored 'General case' 0 C--O 1.202 -1.44 0 CA-C-N 115.947 -0.569 . . . . 0.0 112.283 -176.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.475 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 50.4 mtpt -56.01 -40.48 73.46 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 122.049 0.928 . . . . 0.0 111.4 -171.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.95 -36.86 78.41 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.234 178.196 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -63.82 -35.27 80.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 122.188 0.994 . . . . 0.0 109.917 170.494 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.469 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 67.1 t80 -75.41 -44.42 44.66 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.946 -1.479 . . . . 0.0 112.004 -167.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 15.1 mt -73.71 -14.07 61.08 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 12.3 tmtt? -78.24 -39.51 40.08 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.717 -1.129 . . . . 0.0 108.085 169.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.469 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 10.6 mt -61.76 -45.29 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.23 174.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 m -63.13 -28.77 70.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.399 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -74.53 -60.31 2.34 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.722 -176.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mp -67.38 -26.72 66.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.818 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.16 -24.13 74.69 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.321 173.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.603 ' O ' HG12 ' A' ' 25' ' ' VAL . 42.1 t -84.38 -18.15 37.03 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 176.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -88.42 -39.67 14.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.438 0.637 . . . . 0.0 110.006 175.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.605 ' HA ' HD22 ' A' ' 27' ' ' LEU . 81.1 t -86.93 14.07 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 122.527 1.156 . . . . 0.0 110.225 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 22' ' ' CYS . 2.9 p -92.48 -26.4 4.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 164.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.7 t -75.58 -49.73 25.94 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.692 0 CA-C-N 114.256 -1.338 . . . . 0.0 110.751 -174.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.803 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -63.36 -17.42 62.59 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.562 -1.199 . . . . 0.0 112.014 -176.064 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.803 ' N ' HD23 ' A' ' 27' ' ' LEU . 63.9 mt . . . . . 0 CA--C 1.516 -0.365 0 CA-C-O 121.22 0.533 . . . . 0.0 109.742 175.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 m120 . . . . . 0 CA--C 1.52 -0.195 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 p -65.15 -20.21 66.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.517 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.623 ' O ' HD23 ' A' ' 13' ' ' LEU . 44.4 p-90 -60.77 -34.08 73.93 Favored 'General case' 0 C--O 1.198 -1.655 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.799 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.485 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 7.9 mtmt -55.95 -38.16 69.98 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 122.031 0.92 . . . . 0.0 110.73 -177.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -66.7 -33.9 76.66 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 113.835 -1.53 . . . . 0.0 110.234 176.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -73.47 -31.53 63.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 122.201 1.0 . . . . 0.0 110.164 172.209 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.602 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 52.3 t80 -80.11 -37.93 32.64 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 114.137 -1.392 . . . . 0.0 112.11 -166.269 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 20.4 mt -79.81 -14.06 58.97 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -71.78 -38.75 70.28 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 167.203 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.602 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 21.8 mt -63.06 -43.42 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.965 173.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.414 ' OG ' ' HA ' ' A' ' 15' ' ' LEU . 6.1 m -59.05 -44.67 91.84 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.946 175.302 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -56.31 -56.64 18.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.376 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.0 mt -63.39 -35.4 80.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.524 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.21 -33.84 88.31 Favored Glycine 0 CA--C 1.518 0.281 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.41 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.502 ' O ' HG12 ' A' ' 25' ' ' VAL . 73.8 m -67.38 -24.98 65.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.824 0.345 . . . . 0.0 111.004 177.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -90.39 -42.36 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.338 0.589 . . . . 0.0 110.261 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.613 ' HA ' HD22 ' A' ' 27' ' ' LEU . 66.2 t -84.81 12.94 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 122.468 1.128 . . . . 0.0 110.422 -178.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 22' ' ' CYS . 4.2 p -92.16 -26.78 4.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 122.033 0.921 . . . . 0.0 108.522 164.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.8 t -74.74 -50.54 25.41 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.715 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.813 -175.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.803 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -63.58 -17.58 63.0 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.318 -1.31 . . . . 0.0 112.128 -175.265 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.803 ' N ' HD23 ' A' ' 27' ' ' LEU . 69.3 mt . . . . . 0 C--N 1.345 0.395 0 CA-C-O 121.187 0.518 . . . . 0.0 110.383 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.458 0.17 . . . . 0.0 111.453 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.9 t -65.12 -22.72 66.97 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.15 -176.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.617 ' O ' HD23 ' A' ' 13' ' ' LEU . 54.2 p-90 -58.51 -33.38 69.77 Favored 'General case' 0 C--O 1.199 -1.568 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.845 177.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -56.26 -39.8 73.2 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.763 0.792 . . . . 0.0 110.634 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -68.76 -30.52 69.14 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.225 -1.352 . . . . 0.0 110.275 176.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -75.77 -30.06 59.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 122.1 0.952 . . . . 0.0 110.182 172.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' TRP . 58.7 t80 -84.97 -41.25 16.03 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 114.337 -1.301 . . . . 0.0 112.26 -164.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.2 mt -77.77 -13.2 59.97 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.453 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -74.76 -43.12 56.52 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 167.388 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.42 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 8.8 mt -61.1 -45.8 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.64 175.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 t -61.15 -42.8 99.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.926 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.548 ' HD2' HD12 ' A' ' 20' ' ' LEU . 59.2 t80 -63.46 -59.28 4.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.162 -177.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.548 HD12 ' HD2' ' A' ' 19' ' ' PHE . 10.9 mp -62.94 -33.93 76.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.77 -30.8 78.72 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.581 -0.819 . . . . 0.0 111.771 175.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.545 ' O ' HG12 ' A' ' 25' ' ' VAL . 49.1 t -76.25 -21.99 55.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.847 0.356 . . . . 0.0 110.523 178.242 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -88.76 -38.75 14.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.477 0.656 . . . . 0.0 110.39 173.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.592 ' HA ' HD22 ' A' ' 27' ' ' LEU . 96.9 t -87.05 14.63 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-O 122.539 1.162 . . . . 0.0 110.231 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 22' ' ' CYS . 4.6 p -92.16 -25.52 5.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 164.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.7 t -74.88 -49.04 30.59 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.938 -175.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.797 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -65.46 -16.93 64.14 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.453 -1.249 . . . . 0.0 112.009 -176.041 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.797 ' N ' HD23 ' A' ' 27' ' ' LEU . 60.0 mt . . . . . 0 CA--C 1.518 -0.276 0 CA-C-O 121.519 0.676 . . . . 0.0 109.312 173.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 p30 . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.765 0.317 . . . . 0.0 111.519 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.8 p -77.41 -3.55 40.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.669 0.271 . . . . 0.0 111.686 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.624 ' O ' HD23 ' A' ' 13' ' ' LEU . 66.5 p-90 -64.51 -31.67 72.98 Favored 'General case' 0 C--O 1.201 -1.462 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.468 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -59.91 -33.73 72.26 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 122.141 0.972 . . . . 0.0 110.594 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -69.62 -33.47 72.7 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.275 -1.329 . . . . 0.0 110.324 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -72.38 -29.85 64.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.042 0.925 . . . . 0.0 109.957 171.465 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.585 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 53.8 t80 -72.52 -37.93 68.21 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.348 -1.297 . . . . 0.0 112.062 -166.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.9 mt -79.58 -18.21 52.21 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.506 ' HD2' ' C ' ' A' ' 16' ' ' LYS . 2.2 tmmm? -70.68 -39.44 73.54 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 168.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.585 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 12.1 mt -59.87 -44.34 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.21 174.231 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.0 m -63.2 -40.9 98.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.288 177.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.439 ' HD1' HD12 ' A' ' 20' ' ' LEU . 55.1 t80 -63.03 -60.08 3.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.128 -175.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.515 ' O ' HG12 ' A' ' 24' ' ' VAL . 10.8 mp -61.52 -40.16 93.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.531 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.527 ' O ' ' HB ' ' A' ' 25' ' ' VAL . . . -61.85 -27.24 68.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.136 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.521 ' O ' HG12 ' A' ' 25' ' ' VAL . 42.0 t -88.48 -23.86 23.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.56 0.219 . . . . 0.0 111.171 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -90.72 -43.95 9.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.912 0.387 . . . . 0.0 111.288 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.608 ' HA ' HD22 ' A' ' 27' ' ' LEU . 2.6 p -83.32 6.08 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.664 0.745 . . . . 0.0 110.513 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.527 ' HB ' ' O ' ' A' ' 21' ' ' GLY . 8.2 p -90.21 -26.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 170.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.97 -50.17 50.49 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.667 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.435 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.795 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -73.87 -17.73 61.01 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 113.89 -1.504 . . . . 0.0 112.202 -169.872 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.795 ' N ' HD23 ' A' ' 27' ' ' LEU . 66.3 mt . . . . . 0 N--CA 1.467 0.386 0 CA-C-O 121.235 0.54 . . . . 0.0 110.141 173.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 . . . . . 0 CA--C 1.523 -0.09 0 CA-C-O 121.042 0.448 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.5 p -67.18 -29.59 69.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.63 -176.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.603 ' O ' HD23 ' A' ' 13' ' ' LEU . 52.9 p-90 -68.09 -31.37 70.94 Favored 'General case' 0 C--O 1.204 -1.327 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.287 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -55.75 -41.78 74.48 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 122.108 0.956 . . . . 0.0 110.907 -171.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.61 -24.66 66.35 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 113.758 -1.564 . . . . 0.0 110.908 178.16 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -83.56 -37.03 23.52 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.116 175.3 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.477 ' HA ' ' HB ' ' A' ' 17' ' ' ILE . 41.5 t80 -85.37 -37.21 20.13 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 114.064 -1.426 . . . . 0.0 112.007 -166.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.6 mt -76.0 -14.25 60.23 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 1.3 tmtp? -77.37 -40.62 43.21 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 113.909 -1.496 . . . . 0.0 107.696 168.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.477 ' HB ' ' HA ' ' A' ' 14' ' ' TYR . 13.4 mt -62.32 -45.0 99.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.745 175.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.9 m -57.72 -41.27 81.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.566 0.698 . . . . 0.0 110.103 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -66.42 -52.3 48.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.693 -1.139 . . . . 0.0 111.37 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.6 mt -73.17 -25.86 60.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.236 0.541 . . . . 0.0 110.309 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.45 ' O ' ' HB ' ' A' ' 25' ' ' VAL . . . -67.86 -22.11 73.64 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.712 174.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.483 ' O ' HG12 ' A' ' 25' ' ' VAL . 89.6 m -76.29 -20.81 56.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.897 0.38 . . . . 0.0 110.637 174.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -91.04 -40.77 11.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.371 0.605 . . . . 0.0 110.428 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.614 ' HA ' HD22 ' A' ' 27' ' ' LEU . 58.9 t -89.24 15.33 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 122.558 1.171 . . . . 0.0 110.444 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 22' ' ' CYS . 8.7 p -92.17 -28.84 4.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 163.244 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.0 t -70.68 -52.51 28.01 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.159 -175.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.879 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -62.57 -19.13 63.39 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.611 -175.564 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.879 ' N ' HD23 ' A' ' 27' ' ' LEU . 3.1 tp . . . . . 0 N--CA 1.446 -0.661 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.067 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.2 t30 . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 121.135 0.493 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -71.84 -5.97 38.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.092 -175.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.634 ' O ' HD23 ' A' ' 13' ' ' LEU . 60.5 p-90 -66.81 -31.23 71.72 Favored 'General case' 0 C--O 1.204 -1.333 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.621 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -58.15 -34.77 70.65 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.701 0.762 . . . . 0.0 110.381 -177.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -65.41 -28.38 69.21 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.16 -1.382 . . . . 0.0 110.733 174.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -83.31 -29.16 28.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.773 174.28 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.432 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 57.4 t80 -78.67 -44.83 22.79 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.498 -1.228 . . . . 0.0 112.434 -164.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.8 mt -75.38 -12.38 60.24 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 1.6 tmtp? -77.99 -41.38 36.12 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 114.245 -1.343 . . . . 0.0 107.763 169.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.432 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 9.1 mt -62.03 -45.07 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.57 175.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 m -64.18 -23.69 67.41 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.608 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -86.05 -60.55 1.98 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.083 -175.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.02 -32.92 71.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.371 -177.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.41 -15.4 63.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.225 -0.988 . . . . 0.0 111.567 175.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.514 ' O ' HG12 ' A' ' 25' ' ' VAL . 44.6 t -88.51 -26.61 21.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.834 0.35 . . . . 0.0 110.097 176.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -89.48 -34.96 16.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.218 0.532 . . . . 0.0 110.613 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.588 ' HA ' HD22 ' A' ' 27' ' ' LEU . 65.7 t -86.47 14.24 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 122.598 1.19 . . . . 0.0 109.911 178.437 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 22' ' ' CYS . 1.1 p -91.97 -27.99 4.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 164.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.9 t -73.18 -49.86 35.36 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.747 0 CA-C-N 113.939 -1.482 . . . . 0.0 110.851 -175.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.782 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -63.84 -18.14 63.85 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.539 -1.209 . . . . 0.0 112.101 -175.212 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.782 ' N ' HD23 ' A' ' 27' ' ' LEU . 62.5 mt . . . . . 0 CA--C 1.515 -0.395 0 CA-C-O 121.181 0.515 . . . . 0.0 109.849 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 120.729 0.3 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.66 -14.49 28.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.912 0.387 . . . . 0.0 111.268 -177.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.6 p -78.4 80.55 4.79 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.485 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -128.43 26.15 5.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.759 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 62.05 49.74 4.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.806 -175.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 58.18 43.27 95.44 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.686 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -116.22 104.99 12.06 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.426 0.155 . . . . 0.0 110.891 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.0 m120 69.64 -66.43 0.26 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.612 0.765 . . . . 0.0 112.7 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.2 m -68.29 -2.18 7.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -172.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.641 ' O ' HD23 ' A' ' 13' ' ' LEU . 61.7 p-90 -70.97 -31.16 67.64 Favored 'General case' 0 C--O 1.204 -1.322 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.539 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -59.7 -34.23 72.62 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.394 -0.816 . . . . 0.0 110.787 -176.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.55 -32.49 73.46 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.23 -1.35 . . . . 0.0 110.386 173.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -80.66 -29.16 36.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.438 174.379 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.407 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 56.8 t80 -74.49 -43.41 56.09 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.723 -1.126 . . . . 0.0 112.663 -166.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.5 mt -74.2 -14.52 60.95 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.777 0.799 . . . . 0.0 108.884 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 12.4 tmtt? -77.39 -39.33 47.58 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 114.348 -1.296 . . . . 0.0 107.888 170.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.407 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 7.4 mt -63.93 -41.17 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.801 176.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.9 t -66.03 -34.05 77.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.167 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -75.32 -59.44 2.74 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.019 -177.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.435 HD22 ' HE2' ' A' ' 16' ' ' LYS . 8.0 mp -68.8 -24.49 64.41 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.409 -177.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.06 -38.57 95.77 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.073 -1.06 . . . . 0.0 110.984 173.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.477 ' O ' HG12 ' A' ' 25' ' ' VAL . 53.7 t -75.08 -28.84 60.47 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.46 176.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.435 ' O ' ' HB ' ' A' ' 26' ' ' VAL . 61.8 tttm -82.44 -27.21 32.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.053 0.454 . . . . 0.0 110.877 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.656 ' HA ' HD22 ' A' ' 27' ' ' LEU . 94.9 t -89.51 14.15 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 122.944 1.354 . . . . 0.0 109.582 175.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -91.18 -29.54 4.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 161.012 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.435 ' HB ' ' O ' ' A' ' 23' ' ' LYS . 94.8 t -72.32 -51.04 31.67 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.886 0 CA-C-N 113.985 -1.461 . . . . 0.0 111.363 -173.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.783 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -60.44 -17.67 46.11 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.776 -177.148 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.783 ' N ' HD23 ' A' ' 27' ' ' LEU . 88.6 mt -68.41 -42.64 78.71 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.308 0.575 . . . . 0.0 109.709 172.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.36 -37.94 24.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.633 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.633 -0.699 . . . . 0.0 110.632 -177.199 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.7 mtp . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 120.81 0.338 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.62 30.95 2.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.358 0.599 . . . . 0.0 110.048 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.8 m -86.39 123.57 31.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.4 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -70.16 110.41 5.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.2 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -85.04 119.81 25.85 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.061 176.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.7 -42.55 1.37 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.359 177.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt 54.81 -92.23 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.083 0.553 . . . . 0.0 112.292 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -121.82 -15.55 7.86 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.206 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.8 t -76.66 -18.52 58.52 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 122.23 -0.294 . . . . 0.0 111.001 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.615 ' O ' HD23 ' A' ' 13' ' ' LEU . 61.6 p-90 -55.9 -31.8 63.18 Favored 'General case' 0 C--O 1.203 -1.349 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.117 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -56.75 -39.32 73.78 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 122.295 1.045 . . . . 0.0 110.974 -174.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.09 -30.97 67.22 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 113.548 -1.66 . . . . 0.0 110.341 178.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -73.05 -30.34 63.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.837 171.723 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.475 ' HA ' ' HB ' ' A' ' 17' ' ' ILE . 58.7 t80 -76.7 -39.03 53.31 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 114.065 -1.425 . . . . 0.0 111.516 -168.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 tp -72.88 -22.19 60.8 Favored 'General case' 0 N--CA 1.405 -2.676 0 CA-C-O 121.824 0.821 . . . . 0.0 109.623 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.468 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 1.2 tmtp? -75.46 -38.06 59.88 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 114.365 -1.289 . . . . 0.0 108.446 169.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.475 ' HB ' ' HA ' ' A' ' 14' ' ' TYR . 6.6 mt -62.99 -40.83 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.707 176.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.5 t -69.91 -19.59 63.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.266 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.469 ' HD2' HD12 ' A' ' 20' ' ' LEU . 48.1 t80 -88.74 -60.29 2.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.769 -177.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.469 HD12 ' HD2' ' A' ' 19' ' ' PHE . 8.5 mp -72.1 -25.67 61.84 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.063 -178.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.53 -32.61 84.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.077 -1.058 . . . . 0.0 110.852 171.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.555 ' O ' HG12 ' A' ' 25' ' ' VAL . 45.8 t -80.52 -15.47 56.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.259 -0.47 . . . . 0.0 110.192 177.056 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.426 ' HD2' ' CE2' ' A' ' 19' ' ' PHE . 30.0 mtpp -90.03 -33.58 16.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.341 0.591 . . . . 0.0 110.341 174.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.651 ' HA ' HD22 ' A' ' 27' ' ' LEU . 85.0 t -89.96 14.35 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 122.748 1.261 . . . . 0.0 109.744 176.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 22' ' ' CYS . 1.2 p -92.28 -25.96 5.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 161.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.1 t -74.98 -49.44 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 CA-C-N 114.271 -1.331 . . . . 0.0 111.21 -174.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.76 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -61.92 -16.49 51.23 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.361 -178.016 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.76 ' N ' HD23 ' A' ' 27' ' ' LEU . 85.2 mt -76.13 -42.23 47.51 Favored 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.706 172.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -70.99 -33.06 70.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.251 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 . . . . . 0 C--O 1.248 0.977 0 O-C-N 124.022 0.826 . . . . 0.0 111.434 -179.552 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.7 mtp . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 120.724 0.297 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.33 -11.58 23.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.397 0.618 . . . . 0.0 110.838 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 p -112.96 146.11 39.61 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.316 177.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -92.93 126.03 37.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.705 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -88.57 6.01 40.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.517 0.675 . . . . 0.0 109.771 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.61 -23.96 71.51 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 174.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -68.02 151.2 47.43 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -124.63 -42.06 2.1 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.706 0.288 . . . . 0.0 111.482 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.1 m -70.43 -1.65 11.39 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -171.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.641 ' O ' HD23 ' A' ' 13' ' ' LEU . 61.3 p-90 -75.69 -31.25 59.62 Favored 'General case' 0 C--O 1.202 -1.434 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.422 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -59.81 -34.31 72.88 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.785 0.802 . . . . 0.0 110.571 -176.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -65.33 -26.8 68.21 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.613 174.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -84.94 -27.45 26.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.059 173.849 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.551 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 53.7 t80 -75.99 -40.34 53.97 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.623 -1.171 . . . . 0.0 112.141 -166.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -78.77 -17.17 56.2 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 11.9 tmtt? -73.59 -36.18 65.5 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.637 -1.165 . . . . 0.0 107.892 168.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.551 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 6.5 mt -63.35 -36.34 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 115.03 -0.987 . . . . 0.0 110.297 174.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.0 t -63.22 -41.39 99.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.376 0.607 . . . . 0.0 109.922 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -64.46 -59.38 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.847 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mp -67.3 -26.58 66.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.965 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.89 -31.91 82.39 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.38 173.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.438 ' O ' HG12 ' A' ' 25' ' ' VAL . 44.9 t -76.34 -23.95 54.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.896 0.379 . . . . 0.0 110.316 176.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -81.86 -31.81 31.38 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.366 0.603 . . . . 0.0 110.177 174.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.634 ' HA ' HD22 ' A' ' 27' ' ' LEU . 92.6 t -84.16 14.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 122.817 1.294 . . . . 0.0 110.024 175.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -91.94 -27.5 4.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 162.867 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.0 t -76.74 -49.71 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.632 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.155 -173.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.809 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -60.5 -16.65 39.12 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.487 -178.74 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.809 ' N ' HD23 ' A' ' 27' ' ' LEU . 83.7 mt -73.52 -43.38 60.14 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.143 0.497 . . . . 0.0 109.868 173.133 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -67.81 -40.62 83.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.791 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 . . . . . 0 C--O 1.25 1.107 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.329 -179.472 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptt? . . . . . 0 N--CA 1.484 1.261 0 CA-C-O 120.517 0.199 . . . . 0.0 111.457 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.93 18.88 10.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.204 0.526 . . . . 0.0 110.888 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.3 m -82.92 132.98 35.13 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.36 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -76.7 74.99 3.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.67 0.272 . . . . 0.0 110.397 177.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.7 t60 59.24 75.06 0.42 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.56 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.22 11.78 0.16 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.85 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -122.72 64.2 0.97 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.054 0.454 . . . . 0.0 110.986 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -140.6 -50.55 0.46 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.954 0.407 . . . . 0.0 111.101 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 t -69.82 -11.86 61.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.063 -173.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.594 ' O ' HD23 ' A' ' 13' ' ' LEU . 55.8 p-90 -63.26 -31.93 73.21 Favored 'General case' 0 C--O 1.2 -1.542 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.203 176.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 41.0 mtmt -58.35 -33.54 69.66 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.767 0.794 . . . . 0.0 110.83 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -65.72 -37.2 85.74 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.401 -1.272 . . . . 0.0 110.223 174.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -69.9 -34.36 73.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 122.054 0.931 . . . . 0.0 109.94 171.649 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.525 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 50.7 t80 -74.5 -40.29 61.9 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 114.383 -1.28 . . . . 0.0 112.319 -166.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 14.3 mt -80.62 -9.92 59.76 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 121.805 0.812 . . . . 0.0 109.01 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.522 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 1.2 tmtp? -77.72 -39.6 44.02 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 166.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.525 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 20.1 mt -63.13 -47.63 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.455 175.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 t -60.82 -37.64 82.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.033 178.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -65.25 -58.54 5.69 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.226 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.72 -35.71 80.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.295 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.85 -34.47 88.87 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.253 177.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.58 ' O ' HG12 ' A' ' 25' ' ' VAL . 52.9 t -70.92 -22.89 62.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.61 0.243 . . . . 0.0 110.848 177.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' O ' ' HB ' ' A' ' 26' ' ' VAL . 28.7 ttpp -91.31 -34.07 15.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.315 0.579 . . . . 0.0 110.3 177.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.658 ' HA ' HD22 ' A' ' 27' ' ' LEU . 87.1 t -90.17 13.8 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 122.604 1.192 . . . . 0.0 110.1 177.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 22' ' ' CYS . 2.4 p -92.03 -24.06 5.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 161.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.471 ' HA ' ' HA ' ' A' ' 30' ' ' ARG . 94.0 t -77.11 -51.48 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.678 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.318 -174.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.792 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -58.61 -17.05 18.84 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.113 -179.609 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.792 ' N ' HD23 ' A' ' 27' ' ' LEU . 84.1 mt -82.11 -65.06 1.06 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.832 174.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.576 ' H ' ' HD2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -140.37 14.36 2.38 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -174.011 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.471 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 84.4 mtm180 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 119.017 -0.515 . . . . 0.0 111.407 -177.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.7 42.0 31.53 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.499 0.499 . . . . 0.0 111.063 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m 58.11 46.9 15.4 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.516 0.674 . . . . 0.0 110.614 -178.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.401 ' HE3' ' OD1' ' A' ' 8' ' ' ASN . 52.7 mtmt 59.27 29.75 19.37 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.375 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 70.34 5.11 5.2 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.234 178.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.14 -161.21 48.8 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -178.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 54.64 58.12 5.15 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 121.456 0.646 . . . . 0.0 110.163 178.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.401 ' OD1' ' HE3' ' A' ' 4' ' ' LYS . 15.6 m120 -119.97 -6.54 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.132 -177.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.0 m -65.4 -30.67 71.51 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.965 0.412 . . . . 0.0 111.322 -175.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.58 ' O ' HD23 ' A' ' 13' ' ' LEU . 49.8 p-90 -61.18 -34.51 75.17 Favored 'General case' 0 C--O 1.202 -1.44 0 CA-C-N 115.947 -0.569 . . . . 0.0 112.283 -176.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.475 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 50.4 mtpt -56.01 -40.48 73.46 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 122.049 0.928 . . . . 0.0 111.4 -171.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.95 -36.86 78.41 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.234 178.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -63.82 -35.27 80.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 122.188 0.994 . . . . 0.0 109.917 170.494 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.469 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 67.1 t80 -75.41 -44.42 44.66 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.946 -1.479 . . . . 0.0 112.004 -167.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 15.1 mt -73.71 -14.07 61.08 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 12.3 tmtt? -78.24 -39.51 40.08 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.717 -1.129 . . . . 0.0 108.085 169.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.469 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 10.6 mt -61.76 -45.29 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.23 174.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 m -63.13 -28.77 70.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.399 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -74.53 -60.31 2.34 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.722 -176.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mp -67.38 -26.72 66.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.818 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.16 -24.13 74.69 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.321 173.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.603 ' O ' HG12 ' A' ' 25' ' ' VAL . 42.1 t -84.38 -18.15 37.03 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 176.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -88.42 -39.67 14.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.438 0.637 . . . . 0.0 110.006 175.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.605 ' HA ' HD22 ' A' ' 27' ' ' LEU . 81.1 t -86.93 14.07 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 122.527 1.156 . . . . 0.0 110.225 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 22' ' ' CYS . 2.9 p -92.48 -26.4 4.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 164.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.7 t -75.58 -49.73 25.94 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.692 0 CA-C-N 114.256 -1.338 . . . . 0.0 110.751 -174.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.803 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -63.36 -17.42 62.59 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.562 -1.199 . . . . 0.0 112.014 -176.064 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.803 ' N ' HD23 ' A' ' 27' ' ' LEU . 63.9 mt -96.28 -27.13 15.12 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.22 0.533 . . . . 0.0 109.742 175.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 66.93 23.04 9.97 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.04 -176.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 . . . . . 0 C--O 1.25 1.119 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.675 -175.773 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.72 52.87 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.123 0.487 . . . . 0.0 110.195 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.2 m -80.76 61.01 4.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.691 0.758 . . . . 0.0 110.73 -177.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -79.42 96.23 5.98 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.95 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 57.64 53.3 7.37 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.577 0.703 . . . . 0.0 109.262 -173.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.32 -51.07 4.32 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.043 -177.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.427 ' HD2' ' HA ' ' A' ' 7' ' ' LYS . 36.8 tptt 53.01 22.24 2.38 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.074 0.95 . . . . 0.0 112.466 -177.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -147.53 -49.12 0.18 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.599 177.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 p -65.15 -20.21 66.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.517 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.623 ' O ' HD23 ' A' ' 13' ' ' LEU . 44.4 p-90 -60.77 -34.08 73.93 Favored 'General case' 0 C--O 1.198 -1.655 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.799 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.485 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 7.9 mtmt -55.95 -38.16 69.98 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 122.031 0.92 . . . . 0.0 110.73 -177.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -66.7 -33.9 76.66 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 113.835 -1.53 . . . . 0.0 110.234 176.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -73.47 -31.53 63.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 122.201 1.0 . . . . 0.0 110.164 172.209 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.602 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 52.3 t80 -80.11 -37.93 32.64 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 114.137 -1.392 . . . . 0.0 112.11 -166.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 20.4 mt -79.81 -14.06 58.97 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -71.78 -38.75 70.28 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 167.203 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.602 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 21.8 mt -63.06 -43.42 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.965 173.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.414 ' OG ' ' HA ' ' A' ' 15' ' ' LEU . 6.1 m -59.05 -44.67 91.84 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.946 175.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -56.31 -56.64 18.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.376 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.0 mt -63.39 -35.4 80.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.524 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.21 -33.84 88.31 Favored Glycine 0 CA--C 1.518 0.281 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.41 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.502 ' O ' HG12 ' A' ' 25' ' ' VAL . 73.8 m -67.38 -24.98 65.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.824 0.345 . . . . 0.0 111.004 177.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -90.39 -42.36 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.338 0.589 . . . . 0.0 110.261 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.613 ' HA ' HD22 ' A' ' 27' ' ' LEU . 66.2 t -84.81 12.94 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 122.468 1.128 . . . . 0.0 110.422 -178.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 22' ' ' CYS . 4.2 p -92.16 -26.78 4.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 122.033 0.921 . . . . 0.0 108.522 164.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.8 t -74.74 -50.54 25.41 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.715 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.813 -175.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.803 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -63.58 -17.58 63.0 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.318 -1.31 . . . . 0.0 112.128 -175.265 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.803 ' N ' HD23 ' A' ' 27' ' ' LEU . 69.3 mt -100.33 -27.22 13.59 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-O 121.187 0.518 . . . . 0.0 110.383 175.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 68.02 24.89 7.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.02 -176.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.074 -177.395 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.1 mtm . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.58 40.3 3.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.398 0.618 . . . . 0.0 110.004 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.4 m -80.64 130.85 35.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.919 -177.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -100.44 102.96 14.3 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.738 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -92.79 8.53 39.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.143 0.497 . . . . 0.0 110.518 -177.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.84 -58.06 2.92 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.757 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.428 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER 52.2 36.2 18.68 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 123.051 0.54 . . . . 0.0 111.78 -176.891 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -157.2 -43.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.453 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.9 t -65.12 -22.72 66.97 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.15 -176.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.617 ' O ' HD23 ' A' ' 13' ' ' LEU . 54.2 p-90 -58.51 -33.38 69.77 Favored 'General case' 0 C--O 1.199 -1.568 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.845 177.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -56.26 -39.8 73.2 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.763 0.792 . . . . 0.0 110.634 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -68.76 -30.52 69.14 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.225 -1.352 . . . . 0.0 110.275 176.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -75.77 -30.06 59.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 122.1 0.952 . . . . 0.0 110.182 172.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' TRP . 58.7 t80 -84.97 -41.25 16.03 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 114.337 -1.301 . . . . 0.0 112.26 -164.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.2 mt -77.77 -13.2 59.97 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.453 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -74.76 -43.12 56.52 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 167.388 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.42 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 8.8 mt -61.1 -45.8 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.64 175.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 t -61.15 -42.8 99.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.926 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.548 ' HD2' HD12 ' A' ' 20' ' ' LEU . 59.2 t80 -63.46 -59.28 4.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.162 -177.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.548 HD12 ' HD2' ' A' ' 19' ' ' PHE . 10.9 mp -62.94 -33.93 76.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.77 -30.8 78.72 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.581 -0.819 . . . . 0.0 111.771 175.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.545 ' O ' HG12 ' A' ' 25' ' ' VAL . 49.1 t -76.25 -21.99 55.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.847 0.356 . . . . 0.0 110.523 178.242 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -88.76 -38.75 14.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.477 0.656 . . . . 0.0 110.39 173.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.592 ' HA ' HD22 ' A' ' 27' ' ' LEU . 96.9 t -87.05 14.63 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-O 122.539 1.162 . . . . 0.0 110.231 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 22' ' ' CYS . 4.6 p -92.16 -25.52 5.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 164.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.7 t -74.88 -49.04 30.59 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.938 -175.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.797 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -65.46 -16.93 64.14 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.453 -1.249 . . . . 0.0 112.009 -176.041 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.797 ' N ' HD23 ' A' ' 27' ' ' LEU . 60.0 mt -100.15 -24.57 14.54 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.519 0.676 . . . . 0.0 109.312 173.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' NZ ' ' HB2' ' A' ' 29' ' ' LYS . 0.1 OUTLIER 65.66 29.89 10.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 113.988 -1.46 . . . . 0.0 109.864 -178.655 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.393 -0.813 . . . . 0.0 110.591 -174.254 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.932 0.396 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.81 50.78 1.7 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.137 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.5 m 68.45 112.81 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.112 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -99.09 89.99 4.45 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.45 0.643 . . . . 0.0 109.585 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -135.59 95.19 3.21 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.285 -174.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.25 22.35 13.17 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.584 -176.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -117.6 71.9 0.83 Allowed 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -159.71 -41.37 0.05 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.519 -177.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.8 p -77.41 -3.55 40.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.669 0.271 . . . . 0.0 111.686 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.624 ' O ' HD23 ' A' ' 13' ' ' LEU . 66.5 p-90 -64.51 -31.67 72.98 Favored 'General case' 0 C--O 1.201 -1.462 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.468 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -59.91 -33.73 72.26 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 122.141 0.972 . . . . 0.0 110.594 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -69.62 -33.47 72.7 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.275 -1.329 . . . . 0.0 110.324 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -72.38 -29.85 64.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.042 0.925 . . . . 0.0 109.957 171.465 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.585 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 53.8 t80 -72.52 -37.93 68.21 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.348 -1.297 . . . . 0.0 112.062 -166.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.9 mt -79.58 -18.21 52.21 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.506 ' HD2' ' C ' ' A' ' 16' ' ' LYS . 2.2 tmmm? -70.68 -39.44 73.54 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 168.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.585 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 12.1 mt -59.87 -44.34 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.21 174.231 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.0 m -63.2 -40.9 98.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.288 177.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.439 ' HD1' HD12 ' A' ' 20' ' ' LEU . 55.1 t80 -63.03 -60.08 3.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.128 -175.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.515 ' O ' HG12 ' A' ' 24' ' ' VAL . 10.8 mp -61.52 -40.16 93.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.531 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.527 ' O ' ' HB ' ' A' ' 25' ' ' VAL . . . -61.85 -27.24 68.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.136 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.521 ' O ' HG12 ' A' ' 25' ' ' VAL . 42.0 t -88.48 -23.86 23.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.56 0.219 . . . . 0.0 111.171 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -90.72 -43.95 9.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.912 0.387 . . . . 0.0 111.288 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.608 ' HA ' HD22 ' A' ' 27' ' ' LEU . 2.6 p -83.32 6.08 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.664 0.745 . . . . 0.0 110.513 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.527 ' HB ' ' O ' ' A' ' 21' ' ' GLY . 8.2 p -90.21 -26.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 170.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.97 -50.17 50.49 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.667 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.435 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.795 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -73.87 -17.73 61.01 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 113.89 -1.504 . . . . 0.0 112.202 -169.872 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.795 ' N ' HD23 ' A' ' 27' ' ' LEU . 66.3 mt -101.68 -27.54 13.0 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.235 0.54 . . . . 0.0 110.141 173.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp 69.46 30.93 3.93 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 114.441 -1.254 . . . . 0.0 109.234 -170.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 30' ' ' ARG . 15.3 ttp180 . . . . . 0 C--O 1.25 1.109 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.28 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptp . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 120.85 0.357 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.65 57.23 4.28 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.238 0.542 . . . . 0.0 110.095 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 m -78.85 139.26 38.37 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.514 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -74.38 98.13 3.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.369 0.604 . . . . 0.0 110.182 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -139.86 90.83 2.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.814 -176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.35 24.23 1.09 Allowed Glycine 0 N--CA 1.441 -0.97 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 50.26 56.58 7.71 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.784 -0.708 . . . . 0.0 110.937 -175.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -115.32 7.34 15.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.584 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.5 p -67.18 -29.59 69.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.63 -176.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.603 ' O ' HD23 ' A' ' 13' ' ' LEU . 52.9 p-90 -68.09 -31.37 70.94 Favored 'General case' 0 C--O 1.204 -1.327 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.287 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -55.75 -41.78 74.48 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 122.108 0.956 . . . . 0.0 110.907 -171.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.61 -24.66 66.35 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 113.758 -1.564 . . . . 0.0 110.908 178.16 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -83.56 -37.03 23.52 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.116 175.3 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.477 ' HA ' ' HB ' ' A' ' 17' ' ' ILE . 41.5 t80 -85.37 -37.21 20.13 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 114.064 -1.426 . . . . 0.0 112.007 -166.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.6 mt -76.0 -14.25 60.23 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 1.3 tmtp? -77.37 -40.62 43.21 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 113.909 -1.496 . . . . 0.0 107.696 168.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.477 ' HB ' ' HA ' ' A' ' 14' ' ' TYR . 13.4 mt -62.32 -45.0 99.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.745 175.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.9 m -57.72 -41.27 81.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.566 0.698 . . . . 0.0 110.103 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -66.42 -52.3 48.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.693 -1.139 . . . . 0.0 111.37 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.6 mt -73.17 -25.86 60.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.236 0.541 . . . . 0.0 110.309 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.45 ' O ' ' HB ' ' A' ' 25' ' ' VAL . . . -67.86 -22.11 73.64 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.712 174.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.483 ' O ' HG12 ' A' ' 25' ' ' VAL . 89.6 m -76.29 -20.81 56.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.897 0.38 . . . . 0.0 110.637 174.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -91.04 -40.77 11.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.371 0.605 . . . . 0.0 110.428 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.614 ' HA ' HD22 ' A' ' 27' ' ' LEU . 58.9 t -89.24 15.33 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 122.558 1.171 . . . . 0.0 110.444 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 22' ' ' CYS . 8.7 p -92.17 -28.84 4.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 163.244 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.0 t -70.68 -52.51 28.01 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.159 -175.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.879 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -62.57 -19.13 63.39 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.611 -175.564 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.879 ' N ' HD23 ' A' ' 27' ' ' LEU . 3.1 tp -102.22 -27.37 12.91 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.067 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? 64.73 34.52 9.5 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.492 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.37 179.748 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.76 101.52 9.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.086 0.469 . . . . 0.0 111.261 -176.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.5 m -84.64 -7.98 59.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.999 0.904 . . . . 0.0 109.778 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -100.84 88.8 3.66 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.762 -1.108 . . . . 0.0 109.776 176.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -124.93 -54.5 1.62 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.738 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -141.94 -30.01 0.15 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.362 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -78.06 85.1 4.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.036 0.446 . . . . 0.0 110.986 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -155.47 -47.43 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.439 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -71.84 -5.97 38.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.092 -175.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.634 ' O ' HD23 ' A' ' 13' ' ' LEU . 60.5 p-90 -66.81 -31.23 71.72 Favored 'General case' 0 C--O 1.204 -1.333 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.621 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -58.15 -34.77 70.65 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.701 0.762 . . . . 0.0 110.381 -177.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -65.41 -28.38 69.21 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.16 -1.382 . . . . 0.0 110.733 174.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -83.31 -29.16 28.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.773 174.28 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.432 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 57.4 t80 -78.67 -44.83 22.79 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.498 -1.228 . . . . 0.0 112.434 -164.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.8 mt -75.38 -12.38 60.24 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 1.6 tmtp? -77.99 -41.38 36.12 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 114.245 -1.343 . . . . 0.0 107.763 169.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.432 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 9.1 mt -62.03 -45.07 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.57 175.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 m -64.18 -23.69 67.41 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.608 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -86.05 -60.55 1.98 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.083 -175.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.02 -32.92 71.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.371 -177.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.41 -15.4 63.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.225 -0.988 . . . . 0.0 111.567 175.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.514 ' O ' HG12 ' A' ' 25' ' ' VAL . 44.6 t -88.51 -26.61 21.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.834 0.35 . . . . 0.0 110.097 176.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -89.48 -34.96 16.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.218 0.532 . . . . 0.0 110.613 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.588 ' HA ' HD22 ' A' ' 27' ' ' LEU . 65.7 t -86.47 14.24 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 122.598 1.19 . . . . 0.0 109.911 178.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 22' ' ' CYS . 1.1 p -91.97 -27.99 4.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 164.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.9 t -73.18 -49.86 35.36 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.747 0 CA-C-N 113.939 -1.482 . . . . 0.0 110.851 -175.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.782 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -63.84 -18.14 63.85 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.539 -1.209 . . . . 0.0 112.101 -175.212 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.782 ' N ' HD23 ' A' ' 27' ' ' LEU . 62.5 mt -95.58 -23.59 16.99 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.181 0.515 . . . . 0.0 109.849 176.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt 67.82 34.42 4.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 114.384 -1.28 . . . . 0.0 109.747 -175.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.91 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.438 -176.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.0 m120 . . . . . 0 N--CA 1.472 0.647 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.2 m -68.29 -2.18 7.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -172.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.641 ' O ' HD23 ' A' ' 13' ' ' LEU . 61.7 p-90 -70.97 -31.16 67.64 Favored 'General case' 0 C--O 1.204 -1.322 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.539 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -59.7 -34.23 72.62 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.394 -0.816 . . . . 0.0 110.787 -176.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.55 -32.49 73.46 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.23 -1.35 . . . . 0.0 110.386 173.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -80.66 -29.16 36.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.438 174.379 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.407 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 56.8 t80 -74.49 -43.41 56.09 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.723 -1.126 . . . . 0.0 112.663 -166.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.5 mt -74.2 -14.52 60.95 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.777 0.799 . . . . 0.0 108.884 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 12.4 tmtt? -77.39 -39.33 47.58 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 114.348 -1.296 . . . . 0.0 107.888 170.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.407 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 7.4 mt -63.93 -41.17 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.801 176.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.9 t -66.03 -34.05 77.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.167 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -75.32 -59.44 2.74 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.019 -177.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.435 HD22 ' HE2' ' A' ' 16' ' ' LYS . 8.0 mp -68.8 -24.49 64.41 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.409 -177.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.06 -38.57 95.77 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.073 -1.06 . . . . 0.0 110.984 173.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.477 ' O ' HG12 ' A' ' 25' ' ' VAL . 53.7 t -75.08 -28.84 60.47 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.46 176.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.435 ' O ' ' HB ' ' A' ' 26' ' ' VAL . 61.8 tttm -82.44 -27.21 32.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.053 0.454 . . . . 0.0 110.877 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.656 ' HA ' HD22 ' A' ' 27' ' ' LEU . 94.9 t -89.51 14.15 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 122.944 1.354 . . . . 0.0 109.582 175.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -91.18 -29.54 4.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 161.012 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.435 ' HB ' ' O ' ' A' ' 23' ' ' LYS . 94.8 t -72.32 -51.04 31.67 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.886 0 CA-C-N 113.985 -1.461 . . . . 0.0 111.363 -173.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.783 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -60.44 -17.67 46.11 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.776 -177.148 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.783 ' N ' HD23 ' A' ' 27' ' ' LEU . 88.6 mt . . . . . 0 C--O 1.233 0.234 0 CA-C-O 121.308 0.575 . . . . 0.0 109.709 172.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 120.838 0.351 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.8 t -76.66 -18.52 58.52 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 122.23 -0.294 . . . . 0.0 111.001 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.615 ' O ' HD23 ' A' ' 13' ' ' LEU . 61.6 p-90 -55.9 -31.8 63.18 Favored 'General case' 0 C--O 1.203 -1.349 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.117 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -56.75 -39.32 73.78 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 122.295 1.045 . . . . 0.0 110.974 -174.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.09 -30.97 67.22 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 113.548 -1.66 . . . . 0.0 110.341 178.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -73.05 -30.34 63.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.837 171.723 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.475 ' HA ' ' HB ' ' A' ' 17' ' ' ILE . 58.7 t80 -76.7 -39.03 53.31 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 114.065 -1.425 . . . . 0.0 111.516 -168.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 tp -72.88 -22.19 60.8 Favored 'General case' 0 N--CA 1.405 -2.676 0 CA-C-O 121.824 0.821 . . . . 0.0 109.623 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.468 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 1.2 tmtp? -75.46 -38.06 59.88 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 114.365 -1.289 . . . . 0.0 108.446 169.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.475 ' HB ' ' HA ' ' A' ' 14' ' ' TYR . 6.6 mt -62.99 -40.83 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.707 176.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.5 t -69.91 -19.59 63.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.266 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.469 ' HD2' HD12 ' A' ' 20' ' ' LEU . 48.1 t80 -88.74 -60.29 2.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.769 -177.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.469 HD12 ' HD2' ' A' ' 19' ' ' PHE . 8.5 mp -72.1 -25.67 61.84 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.063 -178.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.53 -32.61 84.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.077 -1.058 . . . . 0.0 110.852 171.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.555 ' O ' HG12 ' A' ' 25' ' ' VAL . 45.8 t -80.52 -15.47 56.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.259 -0.47 . . . . 0.0 110.192 177.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.426 ' HD2' ' CE2' ' A' ' 19' ' ' PHE . 30.0 mtpp -90.03 -33.58 16.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.341 0.591 . . . . 0.0 110.341 174.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.651 ' HA ' HD22 ' A' ' 27' ' ' LEU . 85.0 t -89.96 14.35 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 122.748 1.261 . . . . 0.0 109.744 176.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 22' ' ' CYS . 1.2 p -92.28 -25.96 5.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 161.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.1 t -74.98 -49.44 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 CA-C-N 114.271 -1.331 . . . . 0.0 111.21 -174.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.76 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -61.92 -16.49 51.23 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.361 -178.016 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.76 ' N ' HD23 ' A' ' 27' ' ' LEU . 85.2 mt . . . . . 0 N--CA 1.457 -0.091 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.706 172.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.706 0.288 . . . . 0.0 111.482 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.1 m -70.43 -1.65 11.39 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -171.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.641 ' O ' HD23 ' A' ' 13' ' ' LEU . 61.3 p-90 -75.69 -31.25 59.62 Favored 'General case' 0 C--O 1.202 -1.434 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.422 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -59.81 -34.31 72.88 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.785 0.802 . . . . 0.0 110.571 -176.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -65.33 -26.8 68.21 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.613 174.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -84.94 -27.45 26.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.059 173.849 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.551 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 53.7 t80 -75.99 -40.34 53.97 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.623 -1.171 . . . . 0.0 112.141 -166.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -78.77 -17.17 56.2 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 11.9 tmtt? -73.59 -36.18 65.5 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.637 -1.165 . . . . 0.0 107.892 168.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.551 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 6.5 mt -63.35 -36.34 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 115.03 -0.987 . . . . 0.0 110.297 174.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.0 t -63.22 -41.39 99.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.376 0.607 . . . . 0.0 109.922 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -64.46 -59.38 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.847 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mp -67.3 -26.58 66.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.965 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.89 -31.91 82.39 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.38 173.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.438 ' O ' HG12 ' A' ' 25' ' ' VAL . 44.9 t -76.34 -23.95 54.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.896 0.379 . . . . 0.0 110.316 176.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -81.86 -31.81 31.38 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.366 0.603 . . . . 0.0 110.177 174.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.634 ' HA ' HD22 ' A' ' 27' ' ' LEU . 92.6 t -84.16 14.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 122.817 1.294 . . . . 0.0 110.024 175.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -91.94 -27.5 4.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 162.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.0 t -76.74 -49.71 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.632 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.155 -173.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.809 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -60.5 -16.65 39.12 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.487 -178.74 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.809 ' N ' HD23 ' A' ' 27' ' ' LEU . 83.7 mt . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 121.143 0.497 . . . . 0.0 109.868 173.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.6 t30 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.954 0.407 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 t -69.82 -11.86 61.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.063 -173.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.594 ' O ' HD23 ' A' ' 13' ' ' LEU . 55.8 p-90 -63.26 -31.93 73.21 Favored 'General case' 0 C--O 1.2 -1.542 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.203 176.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 41.0 mtmt -58.35 -33.54 69.66 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.767 0.794 . . . . 0.0 110.83 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -65.72 -37.2 85.74 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.401 -1.272 . . . . 0.0 110.223 174.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -69.9 -34.36 73.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 122.054 0.931 . . . . 0.0 109.94 171.649 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.525 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 50.7 t80 -74.5 -40.29 61.9 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 114.383 -1.28 . . . . 0.0 112.319 -166.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 14.3 mt -80.62 -9.92 59.76 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 121.805 0.812 . . . . 0.0 109.01 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.522 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 1.2 tmtp? -77.72 -39.6 44.02 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 166.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.525 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 20.1 mt -63.13 -47.63 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.455 175.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 t -60.82 -37.64 82.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.033 178.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -65.25 -58.54 5.69 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.226 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.72 -35.71 80.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.295 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.85 -34.47 88.87 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.253 177.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.58 ' O ' HG12 ' A' ' 25' ' ' VAL . 52.9 t -70.92 -22.89 62.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.61 0.243 . . . . 0.0 110.848 177.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.422 ' O ' ' HB ' ' A' ' 26' ' ' VAL . 28.7 ttpp -91.31 -34.07 15.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.315 0.579 . . . . 0.0 110.3 177.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.658 ' HA ' HD22 ' A' ' 27' ' ' LEU . 87.1 t -90.17 13.8 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 122.604 1.192 . . . . 0.0 110.1 177.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 22' ' ' CYS . 2.4 p -92.03 -24.06 5.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 161.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.422 ' HB ' ' O ' ' A' ' 23' ' ' LYS . 94.0 t -77.11 -51.48 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.678 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.318 -174.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.792 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -58.61 -17.05 18.84 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.113 -179.609 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.792 ' N ' HD23 ' A' ' 27' ' ' LEU . 84.1 mt . . . . . 0 N--CA 1.454 -0.243 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.832 174.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.6 m120 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.566 0.222 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.0 m -65.4 -30.67 71.51 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.965 0.412 . . . . 0.0 111.322 -175.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.58 ' O ' HD23 ' A' ' 13' ' ' LEU . 49.8 p-90 -61.18 -34.51 75.17 Favored 'General case' 0 C--O 1.202 -1.44 0 CA-C-N 115.947 -0.569 . . . . 0.0 112.283 -176.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.475 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 50.4 mtpt -56.01 -40.48 73.46 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 122.049 0.928 . . . . 0.0 111.4 -171.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.95 -36.86 78.41 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.234 178.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -63.82 -35.27 80.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 122.188 0.994 . . . . 0.0 109.917 170.494 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.469 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 67.1 t80 -75.41 -44.42 44.66 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.946 -1.479 . . . . 0.0 112.004 -167.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 15.1 mt -73.71 -14.07 61.08 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 12.3 tmtt? -78.24 -39.51 40.08 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.717 -1.129 . . . . 0.0 108.085 169.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.469 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 10.6 mt -61.76 -45.29 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.23 174.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 m -63.13 -28.77 70.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.399 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -74.53 -60.31 2.34 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.722 -176.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mp -67.38 -26.72 66.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.818 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.16 -24.13 74.69 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.321 173.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.603 ' O ' HG12 ' A' ' 25' ' ' VAL . 42.1 t -84.38 -18.15 37.03 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 176.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -88.42 -39.67 14.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.438 0.637 . . . . 0.0 110.006 175.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.605 ' HA ' HD22 ' A' ' 27' ' ' LEU . 81.1 t -86.93 14.07 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 122.527 1.156 . . . . 0.0 110.225 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 22' ' ' CYS . 2.9 p -92.48 -26.4 4.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 164.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.7 t -75.58 -49.73 25.94 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.692 0 CA-C-N 114.256 -1.338 . . . . 0.0 110.751 -174.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.803 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -63.36 -17.42 62.59 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.562 -1.199 . . . . 0.0 112.014 -176.064 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.803 ' N ' HD23 ' A' ' 27' ' ' LEU . 63.9 mt . . . . . 0 CA--C 1.516 -0.365 0 CA-C-O 121.22 0.533 . . . . 0.0 109.742 175.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 m120 . . . . . 0 CA--C 1.52 -0.195 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 p -65.15 -20.21 66.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.517 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.623 ' O ' HD23 ' A' ' 13' ' ' LEU . 44.4 p-90 -60.77 -34.08 73.93 Favored 'General case' 0 C--O 1.198 -1.655 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.799 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.485 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 7.9 mtmt -55.95 -38.16 69.98 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 122.031 0.92 . . . . 0.0 110.73 -177.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -66.7 -33.9 76.66 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 113.835 -1.53 . . . . 0.0 110.234 176.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -73.47 -31.53 63.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 122.201 1.0 . . . . 0.0 110.164 172.209 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.602 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 52.3 t80 -80.11 -37.93 32.64 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 114.137 -1.392 . . . . 0.0 112.11 -166.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 20.4 mt -79.81 -14.06 58.97 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -71.78 -38.75 70.28 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 167.203 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.602 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 21.8 mt -63.06 -43.42 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.965 173.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.414 ' OG ' ' HA ' ' A' ' 15' ' ' LEU . 6.1 m -59.05 -44.67 91.84 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.946 175.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -56.31 -56.64 18.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.376 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.0 mt -63.39 -35.4 80.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.524 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.21 -33.84 88.31 Favored Glycine 0 CA--C 1.518 0.281 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.41 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.502 ' O ' HG12 ' A' ' 25' ' ' VAL . 73.8 m -67.38 -24.98 65.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.824 0.345 . . . . 0.0 111.004 177.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -90.39 -42.36 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.338 0.589 . . . . 0.0 110.261 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.613 ' HA ' HD22 ' A' ' 27' ' ' LEU . 66.2 t -84.81 12.94 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 122.468 1.128 . . . . 0.0 110.422 -178.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 22' ' ' CYS . 4.2 p -92.16 -26.78 4.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 122.033 0.921 . . . . 0.0 108.522 164.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.8 t -74.74 -50.54 25.41 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.715 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.813 -175.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.803 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -63.58 -17.58 63.0 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.318 -1.31 . . . . 0.0 112.128 -175.265 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.803 ' N ' HD23 ' A' ' 27' ' ' LEU . 69.3 mt . . . . . 0 C--N 1.345 0.395 0 CA-C-O 121.187 0.518 . . . . 0.0 110.383 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.458 0.17 . . . . 0.0 111.453 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.9 t -65.12 -22.72 66.97 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.15 -176.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.617 ' O ' HD23 ' A' ' 13' ' ' LEU . 54.2 p-90 -58.51 -33.38 69.77 Favored 'General case' 0 C--O 1.199 -1.568 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.845 177.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -56.26 -39.8 73.2 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.763 0.792 . . . . 0.0 110.634 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -68.76 -30.52 69.14 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.225 -1.352 . . . . 0.0 110.275 176.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -75.77 -30.06 59.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 122.1 0.952 . . . . 0.0 110.182 172.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' TRP . 58.7 t80 -84.97 -41.25 16.03 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 114.337 -1.301 . . . . 0.0 112.26 -164.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.2 mt -77.77 -13.2 59.97 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.453 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -74.76 -43.12 56.52 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 167.388 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.42 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 8.8 mt -61.1 -45.8 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.64 175.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 t -61.15 -42.8 99.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.926 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.548 ' HD2' HD12 ' A' ' 20' ' ' LEU . 59.2 t80 -63.46 -59.28 4.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.162 -177.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.548 HD12 ' HD2' ' A' ' 19' ' ' PHE . 10.9 mp -62.94 -33.93 76.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.77 -30.8 78.72 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.581 -0.819 . . . . 0.0 111.771 175.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.545 ' O ' HG12 ' A' ' 25' ' ' VAL . 49.1 t -76.25 -21.99 55.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.847 0.356 . . . . 0.0 110.523 178.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -88.76 -38.75 14.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.477 0.656 . . . . 0.0 110.39 173.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.592 ' HA ' HD22 ' A' ' 27' ' ' LEU . 96.9 t -87.05 14.63 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-O 122.539 1.162 . . . . 0.0 110.231 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 22' ' ' CYS . 4.6 p -92.16 -25.52 5.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 164.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.7 t -74.88 -49.04 30.59 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.938 -175.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.797 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -65.46 -16.93 64.14 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.453 -1.249 . . . . 0.0 112.009 -176.041 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.797 ' N ' HD23 ' A' ' 27' ' ' LEU . 60.0 mt . . . . . 0 CA--C 1.518 -0.276 0 CA-C-O 121.519 0.676 . . . . 0.0 109.312 173.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 p30 . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.765 0.317 . . . . 0.0 111.519 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.8 p -77.41 -3.55 40.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.669 0.271 . . . . 0.0 111.686 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.624 ' O ' HD23 ' A' ' 13' ' ' LEU . 66.5 p-90 -64.51 -31.67 72.98 Favored 'General case' 0 C--O 1.201 -1.462 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.468 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -59.91 -33.73 72.26 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 122.141 0.972 . . . . 0.0 110.594 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -69.62 -33.47 72.7 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.275 -1.329 . . . . 0.0 110.324 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -72.38 -29.85 64.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.042 0.925 . . . . 0.0 109.957 171.465 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.585 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 53.8 t80 -72.52 -37.93 68.21 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.348 -1.297 . . . . 0.0 112.062 -166.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.9 mt -79.58 -18.21 52.21 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.506 ' HD2' ' C ' ' A' ' 16' ' ' LYS . 2.2 tmmm? -70.68 -39.44 73.54 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 168.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.585 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 12.1 mt -59.87 -44.34 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.21 174.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.0 m -63.2 -40.9 98.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.288 177.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.439 ' HD1' HD12 ' A' ' 20' ' ' LEU . 55.1 t80 -63.03 -60.08 3.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.128 -175.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.515 ' O ' HG12 ' A' ' 24' ' ' VAL . 10.8 mp -61.52 -40.16 93.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.531 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.527 ' O ' ' HB ' ' A' ' 25' ' ' VAL . . . -61.85 -27.24 68.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.136 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.521 ' O ' HG12 ' A' ' 25' ' ' VAL . 42.0 t -88.48 -23.86 23.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.56 0.219 . . . . 0.0 111.171 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -90.72 -43.95 9.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.912 0.387 . . . . 0.0 111.288 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.608 ' HA ' HD22 ' A' ' 27' ' ' LEU . 2.6 p -83.32 6.08 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.664 0.745 . . . . 0.0 110.513 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.527 ' HB ' ' O ' ' A' ' 21' ' ' GLY . 8.2 p -90.21 -26.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 170.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.97 -50.17 50.49 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.667 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.435 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.795 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -73.87 -17.73 61.01 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 113.89 -1.504 . . . . 0.0 112.202 -169.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.795 ' N ' HD23 ' A' ' 27' ' ' LEU . 66.3 mt . . . . . 0 N--CA 1.467 0.386 0 CA-C-O 121.235 0.54 . . . . 0.0 110.141 173.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 . . . . . 0 CA--C 1.523 -0.09 0 CA-C-O 121.042 0.448 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.5 p -67.18 -29.59 69.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.63 -176.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.603 ' O ' HD23 ' A' ' 13' ' ' LEU . 52.9 p-90 -68.09 -31.37 70.94 Favored 'General case' 0 C--O 1.204 -1.327 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.287 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -55.75 -41.78 74.48 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 122.108 0.956 . . . . 0.0 110.907 -171.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.61 -24.66 66.35 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 113.758 -1.564 . . . . 0.0 110.908 178.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -83.56 -37.03 23.52 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.116 175.3 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.477 ' HA ' ' HB ' ' A' ' 17' ' ' ILE . 41.5 t80 -85.37 -37.21 20.13 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 114.064 -1.426 . . . . 0.0 112.007 -166.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.6 mt -76.0 -14.25 60.23 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 1.3 tmtp? -77.37 -40.62 43.21 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 113.909 -1.496 . . . . 0.0 107.696 168.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.477 ' HB ' ' HA ' ' A' ' 14' ' ' TYR . 13.4 mt -62.32 -45.0 99.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.745 175.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.9 m -57.72 -41.27 81.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.566 0.698 . . . . 0.0 110.103 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -66.42 -52.3 48.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.693 -1.139 . . . . 0.0 111.37 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.6 mt -73.17 -25.86 60.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.236 0.541 . . . . 0.0 110.309 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.45 ' O ' ' HB ' ' A' ' 25' ' ' VAL . . . -67.86 -22.11 73.64 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.712 174.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.483 ' O ' HG12 ' A' ' 25' ' ' VAL . 89.6 m -76.29 -20.81 56.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.897 0.38 . . . . 0.0 110.637 174.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -91.04 -40.77 11.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.371 0.605 . . . . 0.0 110.428 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.614 ' HA ' HD22 ' A' ' 27' ' ' LEU . 58.9 t -89.24 15.33 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 122.558 1.171 . . . . 0.0 110.444 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 22' ' ' CYS . 8.7 p -92.17 -28.84 4.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 163.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.0 t -70.68 -52.51 28.01 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.159 -175.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.879 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -62.57 -19.13 63.39 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.611 -175.564 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.879 ' N ' HD23 ' A' ' 27' ' ' LEU . 3.1 tp . . . . . 0 N--CA 1.446 -0.661 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.067 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.2 t30 . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 121.135 0.493 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -71.84 -5.97 38.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.092 -175.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.634 ' O ' HD23 ' A' ' 13' ' ' LEU . 60.5 p-90 -66.81 -31.23 71.72 Favored 'General case' 0 C--O 1.204 -1.333 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.621 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -58.15 -34.77 70.65 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.701 0.762 . . . . 0.0 110.381 -177.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -65.41 -28.38 69.21 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.16 -1.382 . . . . 0.0 110.733 174.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -83.31 -29.16 28.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.773 174.28 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.432 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 57.4 t80 -78.67 -44.83 22.79 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.498 -1.228 . . . . 0.0 112.434 -164.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.8 mt -75.38 -12.38 60.24 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 1.6 tmtp? -77.99 -41.38 36.12 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 114.245 -1.343 . . . . 0.0 107.763 169.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.432 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 9.1 mt -62.03 -45.07 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.57 175.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 m -64.18 -23.69 67.41 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.608 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -86.05 -60.55 1.98 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.083 -175.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.02 -32.92 71.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.371 -177.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.41 -15.4 63.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.225 -0.988 . . . . 0.0 111.567 175.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.514 ' O ' HG12 ' A' ' 25' ' ' VAL . 44.6 t -88.51 -26.61 21.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.834 0.35 . . . . 0.0 110.097 176.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -89.48 -34.96 16.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.218 0.532 . . . . 0.0 110.613 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.588 ' HA ' HD22 ' A' ' 27' ' ' LEU . 65.7 t -86.47 14.24 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 122.598 1.19 . . . . 0.0 109.911 178.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 22' ' ' CYS . 1.1 p -91.97 -27.99 4.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 164.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.9 t -73.18 -49.86 35.36 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.747 0 CA-C-N 113.939 -1.482 . . . . 0.0 110.851 -175.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.782 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -63.84 -18.14 63.85 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.539 -1.209 . . . . 0.0 112.101 -175.212 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.782 ' N ' HD23 ' A' ' 27' ' ' LEU . 62.5 mt . . . . . 0 CA--C 1.515 -0.395 0 CA-C-O 121.181 0.515 . . . . 0.0 109.849 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 120.729 0.3 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.66 -14.49 28.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.912 0.387 . . . . 0.0 111.268 -177.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.6 p -78.4 80.55 4.79 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.485 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -128.43 26.15 5.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.759 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 62.05 49.74 4.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.806 -175.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 58.18 43.27 95.44 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.686 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -116.22 104.99 12.06 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.426 0.155 . . . . 0.0 110.891 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.0 m120 69.64 -66.43 0.26 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.612 0.765 . . . . 0.0 112.7 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.2 m -68.29 -2.18 7.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -172.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.641 ' O ' HD23 ' A' ' 13' ' ' LEU . 61.7 p-90 -70.97 -31.16 67.64 Favored 'General case' 0 C--O 1.204 -1.322 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.539 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -59.7 -34.23 72.62 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.394 -0.816 . . . . 0.0 110.787 -176.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.55 -32.49 73.46 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.23 -1.35 . . . . 0.0 110.386 173.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -80.66 -29.16 36.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.438 174.379 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.407 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 56.8 t80 -74.49 -43.41 56.09 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.723 -1.126 . . . . 0.0 112.663 -166.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.5 mt -74.2 -14.52 60.95 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.777 0.799 . . . . 0.0 108.884 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 12.4 tmtt? -77.39 -39.33 47.58 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 114.348 -1.296 . . . . 0.0 107.888 170.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.407 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 7.4 mt -63.93 -41.17 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.801 176.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.9 t -66.03 -34.05 77.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.167 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -75.32 -59.44 2.74 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.019 -177.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.435 HD22 ' HE2' ' A' ' 16' ' ' LYS . 8.0 mp -68.8 -24.49 64.41 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.409 -177.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.06 -38.57 95.77 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.073 -1.06 . . . . 0.0 110.984 173.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.477 ' O ' HG12 ' A' ' 25' ' ' VAL . 53.7 t -75.08 -28.84 60.47 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.46 176.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.435 ' O ' ' HB ' ' A' ' 26' ' ' VAL . 61.8 tttm -82.44 -27.21 32.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.053 0.454 . . . . 0.0 110.877 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.656 ' HA ' HD22 ' A' ' 27' ' ' LEU . 94.9 t -89.51 14.15 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 122.944 1.354 . . . . 0.0 109.582 175.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -91.18 -29.54 4.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 161.012 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.435 ' HB ' ' O ' ' A' ' 23' ' ' LYS . 94.8 t -72.32 -51.04 31.67 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.886 0 CA-C-N 113.985 -1.461 . . . . 0.0 111.363 -173.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.783 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -60.44 -17.67 46.11 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.776 -177.148 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.783 ' N ' HD23 ' A' ' 27' ' ' LEU . 88.6 mt -68.41 -42.64 78.71 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.308 0.575 . . . . 0.0 109.709 172.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.36 -37.94 24.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.633 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.633 -0.699 . . . . 0.0 110.632 -177.199 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.7 mtp . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 120.81 0.338 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.62 30.95 2.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.358 0.599 . . . . 0.0 110.048 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.8 m -86.39 123.57 31.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.4 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -70.16 110.41 5.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.2 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -85.04 119.81 25.85 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.061 176.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.7 -42.55 1.37 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.359 177.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt 54.81 -92.23 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.083 0.553 . . . . 0.0 112.292 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -121.82 -15.55 7.86 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.206 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.8 t -76.66 -18.52 58.52 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 122.23 -0.294 . . . . 0.0 111.001 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.615 ' O ' HD23 ' A' ' 13' ' ' LEU . 61.6 p-90 -55.9 -31.8 63.18 Favored 'General case' 0 C--O 1.203 -1.349 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.117 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -56.75 -39.32 73.78 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 122.295 1.045 . . . . 0.0 110.974 -174.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.09 -30.97 67.22 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 113.548 -1.66 . . . . 0.0 110.341 178.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -73.05 -30.34 63.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.837 171.723 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.475 ' HA ' ' HB ' ' A' ' 17' ' ' ILE . 58.7 t80 -76.7 -39.03 53.31 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 114.065 -1.425 . . . . 0.0 111.516 -168.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 tp -72.88 -22.19 60.8 Favored 'General case' 0 N--CA 1.405 -2.676 0 CA-C-O 121.824 0.821 . . . . 0.0 109.623 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.468 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 1.2 tmtp? -75.46 -38.06 59.88 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 114.365 -1.289 . . . . 0.0 108.446 169.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.475 ' HB ' ' HA ' ' A' ' 14' ' ' TYR . 6.6 mt -62.99 -40.83 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.707 176.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.5 t -69.91 -19.59 63.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.266 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.469 ' HD2' HD12 ' A' ' 20' ' ' LEU . 48.1 t80 -88.74 -60.29 2.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.769 -177.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.469 HD12 ' HD2' ' A' ' 19' ' ' PHE . 8.5 mp -72.1 -25.67 61.84 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.063 -178.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.53 -32.61 84.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.077 -1.058 . . . . 0.0 110.852 171.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.555 ' O ' HG12 ' A' ' 25' ' ' VAL . 45.8 t -80.52 -15.47 56.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.259 -0.47 . . . . 0.0 110.192 177.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.426 ' HD2' ' CE2' ' A' ' 19' ' ' PHE . 30.0 mtpp -90.03 -33.58 16.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.341 0.591 . . . . 0.0 110.341 174.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.651 ' HA ' HD22 ' A' ' 27' ' ' LEU . 85.0 t -89.96 14.35 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 122.748 1.261 . . . . 0.0 109.744 176.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 22' ' ' CYS . 1.2 p -92.28 -25.96 5.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 161.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.1 t -74.98 -49.44 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 CA-C-N 114.271 -1.331 . . . . 0.0 111.21 -174.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.76 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -61.92 -16.49 51.23 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.361 -178.016 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.76 ' N ' HD23 ' A' ' 27' ' ' LEU . 85.2 mt -76.13 -42.23 47.51 Favored 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.706 172.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -70.99 -33.06 70.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.251 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 . . . . . 0 C--O 1.248 0.977 0 O-C-N 124.022 0.826 . . . . 0.0 111.434 -179.552 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.7 mtp . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 120.724 0.297 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.33 -11.58 23.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.397 0.618 . . . . 0.0 110.838 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 p -112.96 146.11 39.61 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.316 177.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -92.93 126.03 37.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.705 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -88.57 6.01 40.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.517 0.675 . . . . 0.0 109.771 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.61 -23.96 71.51 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 174.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -68.02 151.2 47.43 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -124.63 -42.06 2.1 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.706 0.288 . . . . 0.0 111.482 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.1 m -70.43 -1.65 11.39 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -171.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.641 ' O ' HD23 ' A' ' 13' ' ' LEU . 61.3 p-90 -75.69 -31.25 59.62 Favored 'General case' 0 C--O 1.202 -1.434 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.422 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -59.81 -34.31 72.88 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.785 0.802 . . . . 0.0 110.571 -176.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -65.33 -26.8 68.21 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.613 174.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -84.94 -27.45 26.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.059 173.849 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.551 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 53.7 t80 -75.99 -40.34 53.97 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.623 -1.171 . . . . 0.0 112.141 -166.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -78.77 -17.17 56.2 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 11.9 tmtt? -73.59 -36.18 65.5 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.637 -1.165 . . . . 0.0 107.892 168.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.551 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 6.5 mt -63.35 -36.34 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 115.03 -0.987 . . . . 0.0 110.297 174.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.0 t -63.22 -41.39 99.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.376 0.607 . . . . 0.0 109.922 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -64.46 -59.38 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.847 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mp -67.3 -26.58 66.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.965 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.89 -31.91 82.39 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.38 173.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.438 ' O ' HG12 ' A' ' 25' ' ' VAL . 44.9 t -76.34 -23.95 54.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.896 0.379 . . . . 0.0 110.316 176.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -81.86 -31.81 31.38 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.366 0.603 . . . . 0.0 110.177 174.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.634 ' HA ' HD22 ' A' ' 27' ' ' LEU . 92.6 t -84.16 14.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 122.817 1.294 . . . . 0.0 110.024 175.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -91.94 -27.5 4.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 162.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.0 t -76.74 -49.71 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.632 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.155 -173.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.809 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -60.5 -16.65 39.12 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.487 -178.74 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.809 ' N ' HD23 ' A' ' 27' ' ' LEU . 83.7 mt -73.52 -43.38 60.14 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.143 0.497 . . . . 0.0 109.868 173.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -67.81 -40.62 83.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.791 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 . . . . . 0 C--O 1.25 1.107 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.329 -179.472 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptt? . . . . . 0 N--CA 1.484 1.261 0 CA-C-O 120.517 0.199 . . . . 0.0 111.457 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.93 18.88 10.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.204 0.526 . . . . 0.0 110.888 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.3 m -82.92 132.98 35.13 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.36 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -76.7 74.99 3.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.67 0.272 . . . . 0.0 110.397 177.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.7 t60 59.24 75.06 0.42 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.56 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.22 11.78 0.16 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.85 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -122.72 64.2 0.97 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.054 0.454 . . . . 0.0 110.986 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -140.6 -50.55 0.46 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.954 0.407 . . . . 0.0 111.101 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 t -69.82 -11.86 61.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.063 -173.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.594 ' O ' HD23 ' A' ' 13' ' ' LEU . 55.8 p-90 -63.26 -31.93 73.21 Favored 'General case' 0 C--O 1.2 -1.542 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.203 176.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 41.0 mtmt -58.35 -33.54 69.66 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.767 0.794 . . . . 0.0 110.83 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -65.72 -37.2 85.74 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.401 -1.272 . . . . 0.0 110.223 174.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -69.9 -34.36 73.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 122.054 0.931 . . . . 0.0 109.94 171.649 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.525 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 50.7 t80 -74.5 -40.29 61.9 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 114.383 -1.28 . . . . 0.0 112.319 -166.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 14.3 mt -80.62 -9.92 59.76 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 121.805 0.812 . . . . 0.0 109.01 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.522 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 1.2 tmtp? -77.72 -39.6 44.02 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 166.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.525 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 20.1 mt -63.13 -47.63 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.455 175.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 t -60.82 -37.64 82.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.033 178.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -65.25 -58.54 5.69 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.226 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.72 -35.71 80.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.295 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.85 -34.47 88.87 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.253 177.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.58 ' O ' HG12 ' A' ' 25' ' ' VAL . 52.9 t -70.92 -22.89 62.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.61 0.243 . . . . 0.0 110.848 177.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' O ' ' HB ' ' A' ' 26' ' ' VAL . 28.7 ttpp -91.31 -34.07 15.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.315 0.579 . . . . 0.0 110.3 177.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.658 ' HA ' HD22 ' A' ' 27' ' ' LEU . 87.1 t -90.17 13.8 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 122.604 1.192 . . . . 0.0 110.1 177.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 22' ' ' CYS . 2.4 p -92.03 -24.06 5.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 161.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.471 ' HA ' ' HA ' ' A' ' 30' ' ' ARG . 94.0 t -77.11 -51.48 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.678 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.318 -174.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.792 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -58.61 -17.05 18.84 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.113 -179.609 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.792 ' N ' HD23 ' A' ' 27' ' ' LEU . 84.1 mt -82.11 -65.06 1.06 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.832 174.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.576 ' H ' ' HD2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -140.37 14.36 2.38 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -174.011 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.471 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 84.4 mtm180 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 119.017 -0.515 . . . . 0.0 111.407 -177.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.7 42.0 31.53 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.499 0.499 . . . . 0.0 111.063 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m 58.11 46.9 15.4 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.516 0.674 . . . . 0.0 110.614 -178.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.401 ' HE3' ' OD1' ' A' ' 8' ' ' ASN . 52.7 mtmt 59.27 29.75 19.37 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.375 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 70.34 5.11 5.2 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.234 178.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.14 -161.21 48.8 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -178.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 54.64 58.12 5.15 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 121.456 0.646 . . . . 0.0 110.163 178.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.401 ' OD1' ' HE3' ' A' ' 4' ' ' LYS . 15.6 m120 -119.97 -6.54 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.132 -177.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.0 m -65.4 -30.67 71.51 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.965 0.412 . . . . 0.0 111.322 -175.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.58 ' O ' HD23 ' A' ' 13' ' ' LEU . 49.8 p-90 -61.18 -34.51 75.17 Favored 'General case' 0 C--O 1.202 -1.44 0 CA-C-N 115.947 -0.569 . . . . 0.0 112.283 -176.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.475 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 50.4 mtpt -56.01 -40.48 73.46 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 122.049 0.928 . . . . 0.0 111.4 -171.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.95 -36.86 78.41 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.234 178.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -63.82 -35.27 80.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 122.188 0.994 . . . . 0.0 109.917 170.494 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.469 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 67.1 t80 -75.41 -44.42 44.66 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.946 -1.479 . . . . 0.0 112.004 -167.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 15.1 mt -73.71 -14.07 61.08 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 12.3 tmtt? -78.24 -39.51 40.08 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.717 -1.129 . . . . 0.0 108.085 169.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.469 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 10.6 mt -61.76 -45.29 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.23 174.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 m -63.13 -28.77 70.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.399 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -74.53 -60.31 2.34 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.722 -176.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mp -67.38 -26.72 66.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.818 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.16 -24.13 74.69 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.321 173.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.603 ' O ' HG12 ' A' ' 25' ' ' VAL . 42.1 t -84.38 -18.15 37.03 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 176.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -88.42 -39.67 14.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.438 0.637 . . . . 0.0 110.006 175.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.605 ' HA ' HD22 ' A' ' 27' ' ' LEU . 81.1 t -86.93 14.07 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 122.527 1.156 . . . . 0.0 110.225 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 22' ' ' CYS . 2.9 p -92.48 -26.4 4.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 164.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.7 t -75.58 -49.73 25.94 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.692 0 CA-C-N 114.256 -1.338 . . . . 0.0 110.751 -174.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.803 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -63.36 -17.42 62.59 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.562 -1.199 . . . . 0.0 112.014 -176.064 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.803 ' N ' HD23 ' A' ' 27' ' ' LEU . 63.9 mt -96.28 -27.13 15.12 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.22 0.533 . . . . 0.0 109.742 175.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 66.93 23.04 9.97 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.04 -176.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 . . . . . 0 C--O 1.25 1.119 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.675 -175.773 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.72 52.87 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.123 0.487 . . . . 0.0 110.195 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.2 m -80.76 61.01 4.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.691 0.758 . . . . 0.0 110.73 -177.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -79.42 96.23 5.98 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.95 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 57.64 53.3 7.37 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.577 0.703 . . . . 0.0 109.262 -173.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.32 -51.07 4.32 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.043 -177.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.427 ' HD2' ' HA ' ' A' ' 7' ' ' LYS . 36.8 tptt 53.01 22.24 2.38 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.074 0.95 . . . . 0.0 112.466 -177.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -147.53 -49.12 0.18 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.599 177.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 p -65.15 -20.21 66.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.517 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.623 ' O ' HD23 ' A' ' 13' ' ' LEU . 44.4 p-90 -60.77 -34.08 73.93 Favored 'General case' 0 C--O 1.198 -1.655 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.799 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.485 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 7.9 mtmt -55.95 -38.16 69.98 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 122.031 0.92 . . . . 0.0 110.73 -177.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -66.7 -33.9 76.66 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 113.835 -1.53 . . . . 0.0 110.234 176.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -73.47 -31.53 63.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 122.201 1.0 . . . . 0.0 110.164 172.209 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.602 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 52.3 t80 -80.11 -37.93 32.64 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 114.137 -1.392 . . . . 0.0 112.11 -166.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 20.4 mt -79.81 -14.06 58.97 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -71.78 -38.75 70.28 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 167.203 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.602 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 21.8 mt -63.06 -43.42 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.965 173.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.414 ' OG ' ' HA ' ' A' ' 15' ' ' LEU . 6.1 m -59.05 -44.67 91.84 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.946 175.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -56.31 -56.64 18.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.376 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.0 mt -63.39 -35.4 80.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.524 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.21 -33.84 88.31 Favored Glycine 0 CA--C 1.518 0.281 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.41 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.502 ' O ' HG12 ' A' ' 25' ' ' VAL . 73.8 m -67.38 -24.98 65.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.824 0.345 . . . . 0.0 111.004 177.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -90.39 -42.36 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.338 0.589 . . . . 0.0 110.261 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.613 ' HA ' HD22 ' A' ' 27' ' ' LEU . 66.2 t -84.81 12.94 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 122.468 1.128 . . . . 0.0 110.422 -178.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 22' ' ' CYS . 4.2 p -92.16 -26.78 4.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 122.033 0.921 . . . . 0.0 108.522 164.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.8 t -74.74 -50.54 25.41 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.715 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.813 -175.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.803 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -63.58 -17.58 63.0 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.318 -1.31 . . . . 0.0 112.128 -175.265 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.803 ' N ' HD23 ' A' ' 27' ' ' LEU . 69.3 mt -100.33 -27.22 13.59 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-O 121.187 0.518 . . . . 0.0 110.383 175.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 68.02 24.89 7.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.02 -176.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.074 -177.395 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.1 mtm . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.58 40.3 3.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.398 0.618 . . . . 0.0 110.004 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.4 m -80.64 130.85 35.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.919 -177.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -100.44 102.96 14.3 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.738 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -92.79 8.53 39.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.143 0.497 . . . . 0.0 110.518 -177.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.84 -58.06 2.92 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.757 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.428 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER 52.2 36.2 18.68 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 123.051 0.54 . . . . 0.0 111.78 -176.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -157.2 -43.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.453 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.9 t -65.12 -22.72 66.97 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.15 -176.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.617 ' O ' HD23 ' A' ' 13' ' ' LEU . 54.2 p-90 -58.51 -33.38 69.77 Favored 'General case' 0 C--O 1.199 -1.568 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.845 177.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -56.26 -39.8 73.2 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.763 0.792 . . . . 0.0 110.634 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -68.76 -30.52 69.14 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.225 -1.352 . . . . 0.0 110.275 176.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -75.77 -30.06 59.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 122.1 0.952 . . . . 0.0 110.182 172.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' TRP . 58.7 t80 -84.97 -41.25 16.03 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 114.337 -1.301 . . . . 0.0 112.26 -164.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.2 mt -77.77 -13.2 59.97 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.453 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -74.76 -43.12 56.52 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 167.388 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.42 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 8.8 mt -61.1 -45.8 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.64 175.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 t -61.15 -42.8 99.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.926 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.548 ' HD2' HD12 ' A' ' 20' ' ' LEU . 59.2 t80 -63.46 -59.28 4.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.162 -177.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.548 HD12 ' HD2' ' A' ' 19' ' ' PHE . 10.9 mp -62.94 -33.93 76.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.77 -30.8 78.72 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.581 -0.819 . . . . 0.0 111.771 175.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.545 ' O ' HG12 ' A' ' 25' ' ' VAL . 49.1 t -76.25 -21.99 55.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.847 0.356 . . . . 0.0 110.523 178.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -88.76 -38.75 14.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.477 0.656 . . . . 0.0 110.39 173.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.592 ' HA ' HD22 ' A' ' 27' ' ' LEU . 96.9 t -87.05 14.63 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-O 122.539 1.162 . . . . 0.0 110.231 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 22' ' ' CYS . 4.6 p -92.16 -25.52 5.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 164.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.7 t -74.88 -49.04 30.59 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.938 -175.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.797 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -65.46 -16.93 64.14 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.453 -1.249 . . . . 0.0 112.009 -176.041 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.797 ' N ' HD23 ' A' ' 27' ' ' LEU . 60.0 mt -100.15 -24.57 14.54 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.519 0.676 . . . . 0.0 109.312 173.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' NZ ' ' HB2' ' A' ' 29' ' ' LYS . 0.1 OUTLIER 65.66 29.89 10.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 113.988 -1.46 . . . . 0.0 109.864 -178.655 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.393 -0.813 . . . . 0.0 110.591 -174.254 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.932 0.396 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.81 50.78 1.7 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.137 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.5 m 68.45 112.81 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.112 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -99.09 89.99 4.45 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.45 0.643 . . . . 0.0 109.585 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -135.59 95.19 3.21 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.285 -174.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 99.25 22.35 13.17 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.584 -176.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -117.6 71.9 0.83 Allowed 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -159.71 -41.37 0.05 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.519 -177.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.8 p -77.41 -3.55 40.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.669 0.271 . . . . 0.0 111.686 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.624 ' O ' HD23 ' A' ' 13' ' ' LEU . 66.5 p-90 -64.51 -31.67 72.98 Favored 'General case' 0 C--O 1.201 -1.462 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.468 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -59.91 -33.73 72.26 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 122.141 0.972 . . . . 0.0 110.594 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -69.62 -33.47 72.7 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.275 -1.329 . . . . 0.0 110.324 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -72.38 -29.85 64.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.042 0.925 . . . . 0.0 109.957 171.465 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.585 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 53.8 t80 -72.52 -37.93 68.21 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.348 -1.297 . . . . 0.0 112.062 -166.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.9 mt -79.58 -18.21 52.21 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.506 ' HD2' ' C ' ' A' ' 16' ' ' LYS . 2.2 tmmm? -70.68 -39.44 73.54 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 168.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.585 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 12.1 mt -59.87 -44.34 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.21 174.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.0 m -63.2 -40.9 98.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.288 177.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.439 ' HD1' HD12 ' A' ' 20' ' ' LEU . 55.1 t80 -63.03 -60.08 3.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.128 -175.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.515 ' O ' HG12 ' A' ' 24' ' ' VAL . 10.8 mp -61.52 -40.16 93.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.531 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.527 ' O ' ' HB ' ' A' ' 25' ' ' VAL . . . -61.85 -27.24 68.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.136 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.521 ' O ' HG12 ' A' ' 25' ' ' VAL . 42.0 t -88.48 -23.86 23.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.56 0.219 . . . . 0.0 111.171 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -90.72 -43.95 9.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.912 0.387 . . . . 0.0 111.288 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.608 ' HA ' HD22 ' A' ' 27' ' ' LEU . 2.6 p -83.32 6.08 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.664 0.745 . . . . 0.0 110.513 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.527 ' HB ' ' O ' ' A' ' 21' ' ' GLY . 8.2 p -90.21 -26.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 170.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.97 -50.17 50.49 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.667 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.435 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.795 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -73.87 -17.73 61.01 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 113.89 -1.504 . . . . 0.0 112.202 -169.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.795 ' N ' HD23 ' A' ' 27' ' ' LEU . 66.3 mt -101.68 -27.54 13.0 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.235 0.54 . . . . 0.0 110.141 173.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp 69.46 30.93 3.93 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 114.441 -1.254 . . . . 0.0 109.234 -170.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 30' ' ' ARG . 15.3 ttp180 . . . . . 0 C--O 1.25 1.109 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.28 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptp . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 120.85 0.357 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.65 57.23 4.28 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.238 0.542 . . . . 0.0 110.095 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 m -78.85 139.26 38.37 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.514 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -74.38 98.13 3.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.369 0.604 . . . . 0.0 110.182 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -139.86 90.83 2.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.814 -176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.35 24.23 1.09 Allowed Glycine 0 N--CA 1.441 -0.97 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 50.26 56.58 7.71 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.784 -0.708 . . . . 0.0 110.937 -175.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -115.32 7.34 15.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.584 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.5 p -67.18 -29.59 69.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.63 -176.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.603 ' O ' HD23 ' A' ' 13' ' ' LEU . 52.9 p-90 -68.09 -31.37 70.94 Favored 'General case' 0 C--O 1.204 -1.327 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.287 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -55.75 -41.78 74.48 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 122.108 0.956 . . . . 0.0 110.907 -171.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.61 -24.66 66.35 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 113.758 -1.564 . . . . 0.0 110.908 178.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -83.56 -37.03 23.52 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.116 175.3 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.477 ' HA ' ' HB ' ' A' ' 17' ' ' ILE . 41.5 t80 -85.37 -37.21 20.13 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 114.064 -1.426 . . . . 0.0 112.007 -166.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.6 mt -76.0 -14.25 60.23 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 1.3 tmtp? -77.37 -40.62 43.21 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 113.909 -1.496 . . . . 0.0 107.696 168.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.477 ' HB ' ' HA ' ' A' ' 14' ' ' TYR . 13.4 mt -62.32 -45.0 99.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.745 175.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.9 m -57.72 -41.27 81.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.566 0.698 . . . . 0.0 110.103 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -66.42 -52.3 48.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.693 -1.139 . . . . 0.0 111.37 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.6 mt -73.17 -25.86 60.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.236 0.541 . . . . 0.0 110.309 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.45 ' O ' ' HB ' ' A' ' 25' ' ' VAL . . . -67.86 -22.11 73.64 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.712 174.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.483 ' O ' HG12 ' A' ' 25' ' ' VAL . 89.6 m -76.29 -20.81 56.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.897 0.38 . . . . 0.0 110.637 174.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -91.04 -40.77 11.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.371 0.605 . . . . 0.0 110.428 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.614 ' HA ' HD22 ' A' ' 27' ' ' LEU . 58.9 t -89.24 15.33 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 122.558 1.171 . . . . 0.0 110.444 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 22' ' ' CYS . 8.7 p -92.17 -28.84 4.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 163.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.0 t -70.68 -52.51 28.01 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.159 -175.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.879 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -62.57 -19.13 63.39 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.611 -175.564 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.879 ' N ' HD23 ' A' ' 27' ' ' LEU . 3.1 tp -102.22 -27.37 12.91 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.067 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? 64.73 34.52 9.5 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.492 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.37 179.748 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.76 101.52 9.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.086 0.469 . . . . 0.0 111.261 -176.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.5 m -84.64 -7.98 59.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.999 0.904 . . . . 0.0 109.778 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -100.84 88.8 3.66 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.762 -1.108 . . . . 0.0 109.776 176.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -124.93 -54.5 1.62 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.738 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -141.94 -30.01 0.15 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.362 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -78.06 85.1 4.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.036 0.446 . . . . 0.0 110.986 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -155.47 -47.43 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.439 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -71.84 -5.97 38.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.092 -175.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.634 ' O ' HD23 ' A' ' 13' ' ' LEU . 60.5 p-90 -66.81 -31.23 71.72 Favored 'General case' 0 C--O 1.204 -1.333 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.621 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -58.15 -34.77 70.65 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.701 0.762 . . . . 0.0 110.381 -177.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -65.41 -28.38 69.21 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.16 -1.382 . . . . 0.0 110.733 174.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -83.31 -29.16 28.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.773 174.28 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.432 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 57.4 t80 -78.67 -44.83 22.79 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.498 -1.228 . . . . 0.0 112.434 -164.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.8 mt -75.38 -12.38 60.24 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 1.6 tmtp? -77.99 -41.38 36.12 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 114.245 -1.343 . . . . 0.0 107.763 169.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.432 ' HB ' ' O ' ' A' ' 14' ' ' TYR . 9.1 mt -62.03 -45.07 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.57 175.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 m -64.18 -23.69 67.41 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.608 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -86.05 -60.55 1.98 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.083 -175.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.02 -32.92 71.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.371 -177.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.41 -15.4 63.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.225 -0.988 . . . . 0.0 111.567 175.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.514 ' O ' HG12 ' A' ' 25' ' ' VAL . 44.6 t -88.51 -26.61 21.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.834 0.35 . . . . 0.0 110.097 176.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -89.48 -34.96 16.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.218 0.532 . . . . 0.0 110.613 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.588 ' HA ' HD22 ' A' ' 27' ' ' LEU . 65.7 t -86.47 14.24 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 122.598 1.19 . . . . 0.0 109.911 178.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 22' ' ' CYS . 1.1 p -91.97 -27.99 4.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 164.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.9 t -73.18 -49.86 35.36 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.747 0 CA-C-N 113.939 -1.482 . . . . 0.0 110.851 -175.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.782 HD23 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -63.84 -18.14 63.85 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.539 -1.209 . . . . 0.0 112.101 -175.212 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.782 ' N ' HD23 ' A' ' 27' ' ' LEU . 62.5 mt -95.58 -23.59 16.99 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.181 0.515 . . . . 0.0 109.849 176.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt 67.82 34.42 4.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 114.384 -1.28 . . . . 0.0 109.747 -175.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.91 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.438 -176.946 . . . . . . . . 2 2 . 1 stop_ save_